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 |
