6T0H
Crystal structure of CYP124 in complex with 1-alpha-hydroxy-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 | 2018-06-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.560, 74.970, 56.630 |
| Unit cell angles | 90.00, 106.95, 90.00 |
Refinement procedure
| Resolution | 19.720 - 1.180 |
| R-factor | 0.1568 |
| Rwork | 0.155 |
| R-free | 0.18080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t0f |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.171 |
| Data reduction software | XDS (20190315) |
| Data scaling software | XSCALE (20190315) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.080 |
| High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
| Rmeas | 0.120 | 0.089 | 0.865 |
| Number of reflections | 186877 | 2159 | 12553 |
| <I/σ(I)> | 5.7 | 14.2 | 1.2 |
| Completeness [%] | 97.6 | 97.7 | 89 |
| Redundancy | 3 | 3.3 | 2.4 |
| CC(1/2) | 0.993 | 0.985 | 0.497 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEG 3350, 0.1M Bis-Tris, 0.2M Magnesium chloride |
