8WBR
Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L]
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 | 2019-06-23 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.300, 84.749, 92.851 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.872 - 2.020 |
R-factor | 0.2078 |
Rwork | 0.206 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.548 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.550 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.084 | 0.954 |
Rmeas | 0.092 | 1.071 |
Rpim | 0.037 | 0.475 |
Total number of observations | 216051 | 13830 |
Number of reflections | 34818 | 2517 |
<I/σ(I)> | 11.3 | 2.4 |
Completeness [%] | 99.5 | |
Redundancy | 6.2 | 5.5 |
CC(1/2) | 0.997 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M Potassium formate, 20% PEG 3350 |