8XHQ
The complex structure of SoBcmC and its natural substrate
This is a non-PDB format compatible entry.
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 | 2021-10-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.193, 142.985, 85.441 |
| Unit cell angles | 90.00, 92.90, 90.00 |
Refinement procedure
| Resolution | 44.871 - 1.900 |
| R-factor | 0.198905448739 |
| Rwork | 0.198 |
| R-free | 0.22445 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8xhp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.925 |
| Data reduction software | XDS (Version June 30, 2023) |
| Data scaling software | XDS (Version June 30, 2023) |
| Phasing software | PHENIX (1.12_2829) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.124 | 0.767 |
| Rpim | 0.054 | 0.324 |
| Number of reflections | 96038 | 4680 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.995 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium chloride, 0.1 M Na acetate pH 5, 20% PEG 6000 |
