5Y5D
The crystal structure of VrEH2 mutant M263W
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 | 2017-03-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.475, 70.475, 129.021 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.422 - 1.850 |
R-factor | 0.2067 |
Rwork | 0.205 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xm6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.095 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.091 | 0.866 |
Number of reflections | 28594 | 28594 |
<I/σ(I)> | 38.444 | 2.5 |
Completeness [%] | 99.7 | 96 |
Redundancy | 24.5 | 21.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 285 | PEG3350, Tris-HCL, Ethylene glycol. |