8WBO
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D18N complexed with sulfate ions
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 | 2018-06-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 63.804, 59.521, 68.677 |
| Unit cell angles | 90.00, 108.41, 90.00 |
Refinement procedure
| Resolution | 30.270 - 1.580 |
| R-factor | 0.1516 |
| Rwork | 0.150 |
| R-free | 0.17820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.988 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
| Rmerge | 0.998 | 0.031 | 0.411 |
| Total number of observations | 225293 | ||
| Number of reflections | 33520 | 1714 | 1679 |
| <I/σ(I)> | 9 | ||
| Completeness [%] | 99.9 | 99.2 | 99.9 |
| Redundancy | 6.7 | 6.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M Lithium sulfate monohydrate, 0.1M Bis-Tris, pH 6.5, 26% PEG 3350 |
