Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX autosol wizard

Journal Article · Tue Jan 01 00:00:00 EST 2008 · Acta Crystallographica. Section D: Biological Crystallography

DOI:https://doi.org/10.1107/S0907444909012098· OSTI ID:960460

Terwilliger, Thomas C ^[1]; Adams, Paul D ^[2]; Read, Randy J ^[3]; Mccoy, Airlie J ^[3]

---

1. Los Alamos National Laboratory
2. LBNL
3. UNIV OF CAMBRIDGE

Ten measures of experimental electron-density-map quality are examined and the skewness of electron density is found to be the best indicator of actual map quality. A Bayesian approach to estimating map quality is developed and used in the PHENIX AutoSol wizard to make decisions during automated structure solution.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC52-06NA25396
• OSTI ID: 960460
• Report Number(s): LA-UR-08-04869; LA-UR-08-4869; TRN: US201006%%1130
• Journal Information: Acta Crystallographica. Section D: Biological Crystallography, Vol. 65, Issue 6; ISSN 0907-4449
• Country of Publication: United States
• Language: English

Related Subjects

59 BASIC BIOLOGICAL SCIENCES
COMPUTERIZED SIMULATION
DECISION MAKING
ELECTRON DENSITY
INDICATORS
MOLECULAR STRUCTURE