5GMS
Crystal structure of the mutant S202W/I203F of the esterase E40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.108, 144.845, 96.067 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.557 - 1.700 |
| R-factor | 0.1628 |
| Rwork | 0.162 |
| R-free | 0.17960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xvc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.445 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.067 | |
| Number of reflections | 69213 | |
| <I/σ(I)> | 77.3 | |
| Completeness [%] | 99.8 | |
| Redundancy | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M imidazole (pH 7.0), 50% (v/v) MPD |
