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 |