8WCO
(S)-citramalyl-CoA lyase
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 | 2021-10-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 95.874, 79.144, 121.515 |
Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
Resolution | 39.790 - 2.600 |
R-factor | 0.2114 |
Rwork | 0.207 |
R-free | 0.26580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.246 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.790 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 26786 | 3101 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 97.7 | |
Redundancy | 6.6 | |
CC(1/2) | 0.990 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.25 M K2HPO4, 22% PEG 3350 |