8WNH
Crystal structure of cis-epoxysuccinate hydrolase from Rhodococcus opacus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-27 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 76.954, 76.954, 221.364 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.375 - 1.773 |
R-factor | 0.1908 |
Rwork | 0.190 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.807 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.690 | 1.870 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.075 | 1.733 |
Rmeas | 0.077 | 1.766 |
Rpim | 0.015 | 0.339 |
Total number of observations | 1644287 | 253387 |
Number of reflections | 63411 | 9416 |
<I/σ(I)> | 27 | 2.7 |
Completeness [%] | 96.6 | |
Redundancy | 25.9 | 26.9 |
CC(1/2) | 1.000 | 0.868 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 3.5 M sodium formate, 0.1 M BIS-TRIS propane, pH 7.0 |