7XTO
Structure of ClA2 reveal the Mechanism of soil bacterial derived chlorinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2021-11-09 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.378, 104.423, 124.966 |
| Unit cell angles | 90.00, 108.88, 90.00 |
Refinement procedure
| Resolution | 24.990 - 2.480 |
| R-factor | 0.2797 |
| Rwork | 0.278 |
| R-free | 0.30410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q6k |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.828 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.990 | 7.830 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rpim | 0.061 | 0.061 |
| Number of reflections | 68111 | 68111 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 86.8 | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.1M HEPES pH 7.5, 12% w/v Polyethylene glycol 3350 |
