9BKF
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.708, 54.708, 107.174 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.720 - 1.200 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20140 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.784 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.097 | 0.559 |
| Number of reflections | 58229 | 5402 |
| <I/σ(I)> | 28.94 | 3.39 |
| Completeness [%] | 98.8 | |
| Redundancy | 19.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M Imidazole, pH 7.0 , 0.3M Ammonium Sulfate, 30% PEG8000 |
