8WBN
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D193N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.404, 58.552, 64.086 |
| Unit cell angles | 69.88, 73.55, 82.69 |
Refinement procedure
| Resolution | 38.900 - 2.500 |
| R-factor | 0.2133 |
| Rwork | 0.211 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.570 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.550 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.091 | 0.312 |
| Rmeas | 0.129 | 0.440 |
| Rpim | 0.091 | 0.310 |
| Total number of observations | 33094 | 3751 |
| Number of reflections | 17521 | 1990 |
| <I/σ(I)> | 4.3 | 1.6 |
| Completeness [%] | 89.1 | |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.979 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium sulfate, 0.1M Bis-tris, pH6.5, 25% PEG 3350 |
