8WBM
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D193A complexed with sulfate ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.260, 59.490, 64.370 |
| Unit cell angles | 68.23, 75.27, 83.44 |
Refinement procedure
| Resolution | 25.930 - 2.060 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.23820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.984 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (v1.21) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.180 | 2.120 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.105 | 0.272 |
| Rmeas | 0.124 | 0.319 |
| Rpim | 0.065 | 0.164 |
| Total number of observations | 125621 | 9712 |
| Number of reflections | 34339 | 2566 |
| <I/σ(I)> | 8.6 | 4.1 |
| Completeness [%] | 94.7 | |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.986 | 0.935 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.05M ammonium sulfate, 0.05M Bis-tris pH6.5, 30% pentaerythritol ethoxylate |
