5JYB
Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.444, 71.225, 82.700 |
| Unit cell angles | 90.00, 109.19, 90.00 |
Refinement procedure
| Resolution | 36.298 - 1.647 |
| R-factor | 0.1408 |
| Rwork | 0.140 |
| R-free | 0.16480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f1y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.223 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (dev_1888) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.647 |
| Rmerge | 0.119 |
| Number of reflections | 82827 |
| <I/σ(I)> | 11 |
| Completeness [%] | 96.1 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES pH 7.5 0.15 M, 2-Butanol 4.000 %(v/v), PEG 20000 16.0 %(w/v) |
