8WBP
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant E212Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.162, 57.929, 62.956 |
| Unit cell angles | 68.30, 74.57, 83.03 |
Refinement procedure
| Resolution | 41.590 - 1.870 |
| R-factor | 0.1698 |
| Rwork | 0.168 |
| R-free | 0.19680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.054 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (v1.21) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.800 | 1.980 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.054 | 0.247 |
| Rmeas | 0.065 | 0.302 |
| Rpim | 0.035 | 0.169 |
| Total number of observations | 19171 | |
| Number of reflections | 76307 | 6226 |
| <I/σ(I)> | 12.2 | 3.6 |
| Completeness [%] | 93.3 | |
| Redundancy | 3.4 | 3.1 |
| CC(1/2) | 0.996 | 0.954 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M sodium citrate tribasic, 0.2M potassium acetate, 20% PEG 3350 |
