Ab Initio Structure Determination of the Triple Mutant (K53,56,121M) of Bovine Pancreatic Phospholipase A(2) at Atomic and High Resolution Using ACORN
Atomic resolution (0.97 Angstroms) data were collected for the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A{sub 2} at 100 K and data extending to 1.0 Angstroms resolution were used for the present study. Accuracy of the data at high resolution allowed the structure to be solved using the program ACORN, with a random single-atom start in an ab initio manner. The phases obtained from ACORN are of good quality and revealed most of the amino acid residues. Single wavelength Anomalous Diffraction (SAD) data were also used to locate the position of the sulphurs and ACORN was run with these atomic positions as a source of phasing information. The effect of truncating the data to 1.4 and 1.45 Angstroms for input to ACORN is also examined. Larger fragments are required to trigger successful phase refinement at these lower resolutions.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
- Sponsoring Organization:
- Doe - Office Of Science
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 914103
- Report Number(s):
- BNL-78671-2007-JA; TRN: US200804%%514
- Journal Information:
- Current Science, Vol. 90, Issue 8
- Country of Publication:
- United States
- Language:
- English
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Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A{sub 2}
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