8WWS
Crystal structure of cis-epoxysuccinate hydrolase from Klebsiella oxytoca with L(+)-tartaric acid
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 | 2022-10-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 114.616, 114.700, 86.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.080 - 1.790 |
| R-factor | 0.1917 |
| Rwork | 0.183 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.015 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.750 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.141 | 0.504 |
| Rmeas | 0.151 | 0.560 |
| Rpim | 0.052 | 0.243 |
| Total number of observations | 16214 | |
| Number of reflections | 105692 | 3115 |
| <I/σ(I)> | 10.2 | 2.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 7.7 | 5.2 |
| CC(1/2) | 0.992 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M sodium citrate, 0.1 M Bis-tris propane pH 6.5, 20-25% PEG3350 |
