Diffraction-geometry refinement in the DIALS framework

Waterman, David G.; Winter, Graeme; Gildea, Richard J.; Parkhurst, James M.; Brewster, Aaron S.; Sauter, Nicholas K.; Evans, Gwyndaf

doi:10.1107/S2059798316002187

Title: Diffraction-geometry refinement in the DIALS framework

Journal Article · Wed Mar 30 00:00:00 EDT 2016 · Acta Crystallographica. Section D. Structural Biology

DOI:https://doi.org/10.1107/S2059798316002187· OSTI ID:1379263

Waterman, David G. ^[1]; Winter, Graeme ^[2]; Gildea, Richard J. ^[2]; Parkhurst, James M. ^[3]; Brewster, Aaron S. ^[4]; Sauter, Nicholas K. ^[4]; Evans, Gwyndaf ^[2]

Science and Technology Facilities Council (STFC), Didcot (United Kingdom). Rutherford Appleton Lab. (RAL) and Collaborative Computational Project Number 4 (CCP4)
Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.; MRC Lab. of Molecular Biology, Cambridge (United Kingdom)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Rapid data collection and modern computing resources provide the opportunity to revisit the task of optimizing the model of diffraction geometry prior to integration. A comprehensive description is given of new software that builds upon established methods by performing a single global refinement procedure, utilizing a smoothly varying model of the crystal lattice where appropriate. This global refinement technique extends to multiple data sets, providing useful constraints to handle the problem of correlated parameters, particularly for small wedges of data. Examples of advanced uses of the software are given and the design is explained in detail, with particular emphasis on the flexibility and extensibility it entails.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: National Institutes of Health (NIH)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1379263

Journal Information:: Acta Crystallographica. Section D. Structural Biology, Vol. 72, Issue 4; ISSN 2059-7983

Publisher:: IUCrCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 134 works

Citation information provided by
Web of Science

References (36)

New methods for indexing multi-lattice diffraction data Gildea, Richard J.; Waterman, David G.; Parkhurst, James M. Acta Crystallographica Section D Biological Crystallography, Vol. 70, Issue 10 https://doi.org/10.1107/S1399004714017039	journal	September 2014
On the limited memory BFGS method for large scale optimization Liu, Dong C.; Nocedal, Jorge Mathematical Programming, Vol. 45, Issue 1-3 https://doi.org/10.1007/BF01589116	journal	August 1989
The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment – Olex2 dissected Bourhis, Luc J.; Dolomanov, Oleg V.; Gildea, Richard J. Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1 https://doi.org/10.1107/S2053273314022207	journal	January 2015
Processing and post-refinement of oscillation camera data Rossmann, M. G.; Leslie, A. G. W.; Abdel-Meguid, S. S. Journal of Applied Crystallography, Vol. 12, Issue 6 https://doi.org/10.1107/S0021889879013273	journal	December 1979
xia2 : an expert system for macromolecular crystallography data reduction Winter, G. Journal of Applied Crystallography, Vol. 43, Issue 1 https://doi.org/10.1107/S0021889809045701	journal	December 2009
Corrgrams: Exploratory Displays for Correlation Matrices Friendly, Michael The American Statistician, Vol. 56, Issue 4 https://doi.org/10.1198/000313002533	journal	November 2002
On the geometry of a modern imaging diffractometer Paciorek, W. A.; Meyer, M.; Chapuis, G. Acta Crystallographica Section A Foundations of Crystallography, Vol. 55, Issue 3 https://doi.org/10.1107/S0108767398015037	journal	May 1999
An Algorithm for Automatic Indexing of Oscillation Images using Fourier Analysis Steller, I.; Bolotovsky, R.; Rossmann, M. G. Journal of Applied Crystallography, Vol. 30, Issue 6 https://doi.org/10.1107/S0021889897008777	journal	December 1997
Automated data collection for macromolecular crystallography Winter, Graeme; McAuley, Katherine E. Methods, Vol. 55, Issue 1 https://doi.org/10.1016/j.ymeth.2011.06.010	journal	September 2011
The PILATUS 1M detector Broennimann, Ch.; Eikenberry, E. F.; Henrich, B. Journal of Synchrotron Radiation, Vol. 13, Issue 2 https://doi.org/10.1107/S0909049505038665	journal	February 2006
Propagation of errors for matrix inversion Lefebvre, M.; Keeler, R. K.; Sobie, R. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 451, Issue 2 https://doi.org/10.1016/S0168-9002(00)00323-5	journal	September 2000
Small sample corrections for LTS and MCD Pison, G.; Aelst, S. Van; Willems, G. Metrika, Vol. 55, Issue 1-2 https://doi.org/10.1007/s001840200191	journal	April 2002
[19] Diffraction-data processing for electronic detectors: Theory and practice Pflugrath, James W. Methods in Enzymology https://doi.org/10.1016/S0076-6879(97)76065-8	book	January 1997
Estimating fluctuating selection in age-structured populations: Estimating fluctuating selection Engen, S.; Saether, B. -E.; Kvalnes, T. Journal of Evolutionary Biology, Vol. 25, Issue 8 https://doi.org/10.1111/j.1420-9101.2012.02530.x	journal	June 2012
dxtbx : the diffraction experiment toolbox Parkhurst, James M.; Brewster, Aaron S.; Fuentes-Montero, Luis Journal of Applied Crystallography, Vol. 47, Issue 4 https://doi.org/10.1107/S1600576714011996	journal	July 2014
The oscillation method for crystals with very large unit cells Winkler, F. K.; Schutt, C. E.; Harrison, S. C. Acta Crystallographica Section A, Vol. 35, Issue 6 https://doi.org/10.1107/S0567739479002035	journal	November 1979
Crystal orientation and X-ray pattern prediction routines for area-detector diffractometer systems in macromolecular crystallography Messerschmidt, A.; Pflugrath, J. W. Journal of Applied Crystallography, Vol. 20, Issue 4 https://doi.org/10.1107/S002188988708662X	journal	August 1987
How good are my data and what is the resolution? Evans, Philip R.; Murshudov, Garib N. Acta Crystallographica Section D Biological Crystallography, Vol. 69, Issue 7 https://doi.org/10.1107/S0907444913000061	journal	June 2013
Other refinement methods Prince, E.; Collins, D. M. International Tables for Crystallography https://doi.org/10.1107/97809553602060000610	book	October 2006
Improved statistics for determining the Patterson symmetry from unmerged diffraction intensities Sauter, Nicholas K.; Grosse-Kunstleve, Ralf W.; Adams, Paul D. Journal of Applied Crystallography, Vol. 39, Issue 2 https://doi.org/10.1107/S0021889805042299	journal	March 2006
The Computational Crystallography Toolbox : crystallographic algorithms in a reusable software framework Grosse-Kunstleve, Ralf W.; Sauter, Nicholas K.; Moriarty, Nigel W. Journal of Applied Crystallography, Vol. 35, Issue 1 https://doi.org/10.1107/S0021889801017824	journal	January 2002
Robust Regression: Asymptotics, Conjectures and Monte Carlo Huber, Peter J. The Annals of Statistics, Vol. 1, Issue 5 https://doi.org/10.1214/aos/1176342503	journal	September 1973
DENZO and SCALEPACK Otwinowski, Z.; Minor, W.; Borek, D. International Tables for Crystallography https://doi.org/10.1107/97809553602060000833	book	April 2012
Classification and use of image data Bernstein, H. J. International Tables for Crystallography https://doi.org/10.1107/97809553602060000739	book	October 2006
Automated diffraction image analysis and spot searching for high-throughput crystal screening Zhang, Zepu; Sauter, Nicholas K.; van den Bedem, Henry Journal of Applied Crystallography, Vol. 39, Issue 1 https://doi.org/10.1107/S0021889805040677	journal	January 2006
Integration, scaling, space-group assignment and post-refinement Kabsch, Wolfgang Acta Crystallographica Section D Biological Crystallography, Vol. 66, Issue 2, p. 133-144 https://doi.org/10.1107/S0907444909047374	journal	January 2010
Influence Function and Efficiency of the Minimum Covariance Determinant Scatter Matrix Estimator Croux, Christophe; Haesbroeck, Gentiane Journal of Multivariate Analysis, Vol. 71, Issue 2 https://doi.org/10.1006/jmva.1999.1839	journal	November 1999
XDS Kabsch, Wolfgang Acta Crystallographica Section D Biological Crystallography, Vol. 66, Issue 2 https://doi.org/10.1107/S0907444909047337	journal	January 2010
A Fast Algorithm for the Minimum Covariance Determinant Estimator Rousseeuw, Peter J.; Driessen, Katrien Van Technometrics, Vol. 41, Issue 3 https://doi.org/10.1080/00401706.1999.10485670	journal	August 1999
[20] Processing of X-ray diffraction data collected in oscillation mode Otwinowski, Zbyszek; Minor, Wladek Macromolecular Crystallography Part A, 307-326 https://doi.org/10.1016/S0076-6879(97)76066-X	book	January 1997
Angle calculations for 3- and 4-circle X-ray and neutron diffractometers Busing, W. R.; Levy, H. A. Acta Crystallographica, Vol. 22, Issue 4 https://doi.org/10.1107/S0365110X67000970	journal	April 1967
Eigenvalue filtering in the refinement of crystal and orientation parameters for oscillation photography Reeke Jnr, G. N. Journal of Applied Crystallography, Vol. 17, Issue 4 https://doi.org/10.1107/S0021889884011444	journal	August 1984
The integration of macromolecular diffraction data Leslie, Andrew G. W. Acta Crystallographica Section D Biological Crystallography, Vol. 62, Issue 1 https://doi.org/10.1107/S0907444905039107	journal	December 2005
Thaumatin / Diamond Light Source I04 User Training Winter, Graeme; Hall, David Zenodo https://doi.org/10.5281/zenodo.10271	dataset	January 2014
Small Sample Corrections for LTS and MCD Pison, G.; Van Aelst, S.; Willems, G. Developments in Robust Statistics https://doi.org/10.1007/978-3-642-57338-5_29	book	January 2003
Propagation of Errors for Matrix Inversion Lefebvre, M.; Keeler, R. K.; Sobie, R. arXiv https://doi.org/10.48550/arxiv.hep-ex/9909031	text	January 1999

Cited By (53)

Crystal structure of peptide‐bound neprilysin reveals key binding interactions Moss, Stephen; Subramanian, Vasanta; Acharya, K. Ravi FEBS Letters, Vol. 594, Issue 2 https://doi.org/10.1002/1873-3468.13602	journal	September 2019
C7orf59/LAMTOR4 phosphorylation and structural flexibility modulate Ragulator assembly Rasheed, Nadia; Lima, Tatiani B.; Mercaldi, Gustavo F. FEBS Open Bio, Vol. 9, Issue 9 https://doi.org/10.1002/2211-5463.12700	journal	July 2019
Crystal structure of botulinum neurotoxin subtype A3 cell binding domain in complex with GD1a co‐receptor ganglioside Gregory, Kyle S.; Liu, Sai Man; Acharya, K. Ravi FEBS Open Bio, Vol. 10, Issue 3 https://doi.org/10.1002/2211-5463.12790	journal	January 2020
Two Aluminophosphate Molecular Sieves Built from Pairs of Enantiomeric Structural Building Units Seo, Seungwan; Yang, Taimin; Shin, Jiho Angewandte Chemie International Edition, Vol. 57, Issue 14 https://doi.org/10.1002/anie.201800791	journal	March 2018
Exploration of Strategies for Mechanism‐Based Inhibitor Design for Family GH99 endo ‐α‐1,2‐Mannanases Fernandes, Pearl Z.; Petricevic, Marija; Sobala, Lukasz Chemistry – A European Journal, Vol. 24, Issue 29 https://doi.org/10.1002/chem.201800435	journal	April 2018
Cotranslational Folding of a Pentarepeat β-Helix Protein Notari, Luigi; Martínez-Carranza, Markel; Farías-Rico, José Arcadio Journal of Molecular Biology, Vol. 430, Issue 24 https://doi.org/10.1016/j.jmb.2018.10.016	journal	December 2018
Structure of photosystem II and substrate binding at room temperature Young, Iris D.; Ibrahim, Mohamed; Chatterjee, Ruchira Nature, Vol. 540, Issue 7633 https://doi.org/10.1038/nature20161	journal	November 2016
Complex pectin metabolism by gut bacteria reveals novel catalytic functions Ndeh, Didier; Rogowski, Artur; Cartmell, Alan Nature, Vol. 544, Issue 7648 https://doi.org/10.1038/nature21725	journal	March 2017
Structure of PINK1 in complex with its substrate ubiquitin Schubert, Alexander F.; Gladkova, Christina; Pardon, Els Nature, Vol. 552, Issue 7683 https://doi.org/10.1038/nature24645	journal	October 2017
Mechanism and regulation of the Lys6-selective deubiquitinase USP30 Gersch, Malte; Gladkova, Christina; Schubert, Alexander F. Nature Structural & Molecular Biology, Vol. 24, Issue 11 https://doi.org/10.1038/nsmb.3475	journal	September 2017
Structural basis for amino acid transport by the CAT family of SLC7 transporters Jungnickel, Katharina E. J.; Parker, Joanne L.; Newstead, Simon Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03066-6	journal	February 2018
A metal–organic framework for efficient water-based ultra-low-temperature-driven cooling Lenzen, Dirk; Zhao, Jingjing; Ernst, Sebastian-Johannes Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10960-0	journal	July 2019
The ALFA-tag is a highly versatile tool for nanobody-based bioscience applications Götzke, Hansjörg; Kilisch, Markus; Martínez-Carranza, Markel Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12301-7	journal	September 2019
Structural basis for maintenance of bacterial outer membrane lipid asymmetry Abellón-Ruiz, Javier; Kaptan, Shreyas S.; Baslé, Arnaud Nature Microbiology, Vol. 2, Issue 12 https://doi.org/10.1038/s41564-017-0046-x	journal	October 2017
Mechanism of parkin activation by PINK1 Gladkova, Christina; Maslen, Sarah L.; Skehel, J. Mark Nature, Vol. 559, Issue 7714 https://doi.org/10.1038/s41586-018-0224-x	journal	June 2018
Structures of the intermediates of Kok’s photosynthetic water oxidation clock Kern, Jan; Chatterjee, Ruchira; Young, Iris D. Nature, Vol. 563, Issue 7731 https://doi.org/10.1038/s41586-018-0681-2	journal	November 2018
The crystal structure of the chitinase ChiA74 of Bacillus thuringiensis has a multidomain assembly Juárez-Hernández, Estefania O.; Casados-Vázquez, Luz E.; Brieba, Luis G. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-39464-z	journal	February 2019
Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo -xyloglucanases Jain, Namrata; Attia, Mohamed A.; Offen, Wendy A. Organic & Biomolecular Chemistry, Vol. 16, Issue 45 https://doi.org/10.1039/c8ob02250j	journal	January 2018
Structural basis for the C-domain-selective angiotensin-converting enzyme inhibition by bradykinin-potentiating peptide b (BPPb) Sturrock, Edward D.; Lubbe, Lizelle; Cozier, Gyles E. Biochemical Journal, Vol. 476, Issue 10 https://doi.org/10.1042/bcj20190290	journal	May 2019
Crystal structures of angiotensin-converting enzyme from Anopheles gambiae in its native form and with a bound inhibitor Cashman, John S.; Cozier, Gyles E.; Harrison, Charlotte Biochemical Journal, Vol. 476, Issue 22 https://doi.org/10.1042/bcj20190635	journal	November 2019
A cysteine protease–like domain enhances the cytotoxic effects of the Photorhabdus asymbiotica toxin PaTox Bogdanovic, Xenia; Schneider, Silvia; Levanova, Nadezhda Journal of Biological Chemistry, Vol. 294, Issue 3 https://doi.org/10.1074/jbc.ra118.005043	journal	November 2018
Structural basis for isoform-specific kinesin-1 recognition of Y-acidic cargo adaptors Pernigo, Stefano; Chegkazi, Magda; Yip, Yan Y. eLife https://doi.org/10.1101/322057	journal	May 2018
A rationally designed and highly versatile epitope tag for nanobody-based purification, detection and manipulation of proteins Götzke, Hansjörg; Kilisch, Markus; Martínez-Carranza, Markel Nature Communications https://doi.org/10.1101/640771	journal	June 2019
On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Wang, Yunchen; Yang, Taimin; Xu, Hongyi Journal of Applied Crystallography, Vol. 51, Issue 4 https://doi.org/10.1107/s1600576718007604	journal	July 2018
Calibration of rotation axes for multi-axis goniometers in macromolecular crystallography White, K. Ian; Bugris, Valeria; McCarthy, Andrew A. Journal of Applied Crystallography, Vol. 51, Issue 5 https://doi.org/10.1107/s1600576718010956	journal	September 2018
ClickX : a visualization-based program for preprocessing of serial crystallography data Li, Xuanxuan; Li, Chufeng; Liu, Haiguang Journal of Applied Crystallography, Vol. 52, Issue 3 https://doi.org/10.1107/s1600576719005363	journal	May 2019
Intermolecular correlations are necessary to explain diffuse scattering from protein crystals Peck, Ariana; Poitevin, Frédéric; Lane, Thomas J. IUCrJ, Vol. 5, Issue 2 https://doi.org/10.1107/s2052252518001124	journal	February 2018
Crystal structure of the type IV secretion system component CagX from Helicobacter pylori Zhang, Jin; Fan, Fei; Zhao, Yanhe Acta Crystallographica Section F Structural Biology Communications, Vol. 73, Issue 3 https://doi.org/10.1107/s2053230x17001376	journal	February 2017
Crystal structure of the Agrobacterium tumefaciens type VI effector–immunity complex Fukuhara, Satoshi; Nakane, Takanori; Yamashita, Keitaro Acta Crystallographica Section F Structural Biology Communications, Vol. 74, Issue 12 https://doi.org/10.1107/s2053230x18016369	journal	November 2018
The 1.1 Å resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia : a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank Keegan, Ronan; Waterman, David G.; Hopper, David J. Acta Crystallographica Section D Structural Biology, Vol. 72, Issue 8 https://doi.org/10.1107/s2059798316010433	journal	July 2016
Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography Oghbaey, Saeed; Sarracini, Antoine; Ginn, Helen M. Acta Crystallographica Section D Structural Biology, Vol. 72, Issue 8, p. 944-955 https://doi.org/10.1107/s2059798316010834	journal	July 2016
Gentle, fast and effective crystal soaking by acoustic dispensing Collins, Patrick M.; Ng, Jia Tsing; Talon, Romain Acta Crystallographica Section D Structural Biology, Vol. 73, Issue 3 https://doi.org/10.1107/s205979831700331x	journal	March 2017
Where is crystallography going? Grimes, Jonathan M.; Hall, David R.; Ashton, Alun W. Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 2 https://doi.org/10.1107/s2059798317016709	journal	February 2018
Electron diffraction data processing with DIALS Clabbers, Max T. B.; Gruene, Tim; Parkhurst, James M. Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 6 https://doi.org/10.1107/s2059798318007726	journal	May 2018
Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser : human Rab27a Jamshidiha, Mostafa; Pérez-Dorado, Inmaculada; Murray, James W. Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 3 https://doi.org/10.1107/s2059798318017825	journal	February 2019
How best to use photons Winter, Graeme; Gildea, Richard J.; Paterson, Neil G. Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 3 https://doi.org/10.1107/s2059798319003528	journal	March 2019
ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis Huang, Ji; Nguyen, Vinh H.; Hamblin, Karleigh A. Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 7 https://doi.org/10.1107/s2059798319007976	journal	June 2019
The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile Bradshaw, William J.; Kirby, Jonathan M.; Roberts, April K. The FEBS Journal, Vol. 284, Issue 24 https://doi.org/10.1111/febs.14310	journal	November 2017
Crystal structures of sampatrilat and sampatrilat‐Asp in complex with human ACE – a molecular basis for domain selectivity Cozier, Gyles E.; Schwager, Sylva L.; Sharma, Rajni K. The FEBS Journal, Vol. 285, Issue 8 https://doi.org/10.1111/febs.14421	journal	December 2017
Structural/mechanistic insights into the efficacy of nonclassical β-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates: β-lactamase inhibitors versus S. maltophilia Calvopiña, Karina; Hinchliffe, Philip; Brem, Jürgen Molecular Microbiology, Vol. 106, Issue 3 https://doi.org/10.1111/mmi.13831	journal	September 2017
Structure of the DASH/Dam1 complex shows its role at the yeast kinetochore-microtubule interface Jenni, Simon; Harrison, Stephen C. Science, Vol. 360, Issue 6388 https://doi.org/10.1126/science.aar6436	journal	May 2018
In vitro and in vivo characterization of three Cellvibrio japonicus glycoside hydrolase family 5 members reveals potent xyloglucan backbone-cleaving functions Attia, Mohamed A.; Nelson, Cassandra E.; Offen, Wendy A. Biotechnology for Biofuels, Vol. 11, Issue 1 https://doi.org/10.1186/s13068-018-1039-6	journal	February 2018
The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs Torini, Juliana Roberta; Romanello, Larissa; Batista, Fernanda Aparecida Heleno PLOS ONE, Vol. 13, Issue 9 https://doi.org/10.1371/journal.pone.0203532	journal	September 2018
A novel decarboxylating amidohydrolase involved in avoiding metabolic dead ends during cyanuric acid catabolism in Pseudomonas sp. strain ADP Esquirol, Lygie; Peat, Thomas S.; Wilding, Matthew PLOS ONE, Vol. 13, Issue 11 https://doi.org/10.1371/journal.pone.0206949	journal	November 2018
Structural basis for isoform-specific kinesin-1 recognition of Y-acidic cargo adaptors Pernigo, Stefano; Chegkazi, Magda S.; Yip, Yan Y. eLife, Vol. 7 https://doi.org/10.7554/elife.38362	journal	October 2018
Two Aluminophosphate Molecular Sieves Built from Pairs of Enantiomeric Structural Building Units Seo, Seungwan; Yang, Taimin; Shin, Jiho Angewandte Chemie, Vol. 130, Issue 14 https://doi.org/10.1002/ange.201800791	journal	March 2018
In vitro and in vivo characterization of three Cellvibrio japonicus glycoside hydrolase family 5 members reveals potent xyloglucan backbone-cleaving functions Attia, Mohamed A.; Nelson, Cassandra E.; Offen, Wendy A. Maryland Shared Open Access Repository https://doi.org/10.13016/m27p8tf9v	text	January 2018
Cotranslational folding of a pentarepeat β-helix protein Notari, Luigi; Martínez-Carranza, Markel; Farias-Rico, Jose Arcadio Journal of Molecular Biology https://doi.org/10.1101/255810	journal	October 2018
Sample manipulation and data assembly for robust microcrystal synchrotron crystallography Liu, Qun; Guo, Gongrui; Fuchs, Martin R. Acta Crystallographica Section A Foundations and Advances, Vol. 74, Issue a1 https://doi.org/10.1107/s0108767318096046	journal	July 2018
In vitro and in vivo characterization of three Cellvibrio japonicus glycoside hydrolase family 5 members reveals potent xyloglucan backbone-cleaving functions Attia, Mohamed A.; Nelson, Cassandra E.; Offen, Wendy A. BioMed Central https://doi.org/10.14288/1.0363937	text	January 2018
The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleotide selectivity of PNPs Torini, Juliana Roberta; Romanelo, Larissa; Batista, Fernanda Aparecida Heleno PLOS ONE https://doi.org/10.1101/300533	journal	April 2018
ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis Huang, Ji; Nguyen, Vinh H.; Hamblin, Karleigh A. International Union of Crystallography (IUCr) https://doi.org/10.1107/s2059798319007976/ag5028sup1.pdf	text	January 2019
Intermolecular correlations are necessary to explain diffuse scattering from protein crystals Peck, Ariana; Poitevin, Frédéric; Lane, Thomas J. arXiv https://doi.org/10.48550/arxiv.1707.05433	text	January 2017