7CY5
Crystal Structure of CMD1 in complex with vitamin C
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 | 2019-06-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.846, 126.418, 64.217 |
| Unit cell angles | 90.00, 102.27, 90.00 |
Refinement procedure
| Resolution | 48.380 - 2.200 |
| R-factor | 0.1825 |
| Rwork | 0.181 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cy4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.291 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.380 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.084 | 1.030 |
| Number of reflections | 55672 | 2783 |
| <I/σ(I)> | 16.3 | 1.8 |
| Completeness [%] | 95.5 | 97.6 |
| Redundancy | 4.9 | 5.1 |
| CC(1/2) | 1.000 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.6 | 290 | 2% Tacsimate, 0.1M CIT pH 5.6, 16% PEG 3350 |
