6T0G
Crystal structure of CYP124 in complex with vitamin D3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.540, 75.110, 56.590 |
| Unit cell angles | 90.00, 106.84, 90.00 |
Refinement procedure
| Resolution | 19.750 - 1.300 |
| R-factor | 0.1645 |
| Rwork | 0.163 |
| R-free | 0.19030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t0f |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.218 |
| Data reduction software | XDS (20180126) |
| Data scaling software | XSCALE (20180409) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.130 |
| High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
| Rmeas | 0.195 | 0.085 | 2.013 |
| Number of reflections | 164106 | 5912 | 11943 |
| <I/σ(I)> | 3.65 | 15 | 0.4 |
| Completeness [%] | 98.8 | 96.7 | 97.5 |
| Redundancy | 3 | 3.2 | 2.6 |
| CC(1/2) | 0.990 | 0.987 | 0.133 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG 3350, 0.1M BisTris, 0.2M Magnesium chloride |
