6WR1
Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.056, 105.004, 108.544 |
| Unit cell angles | 90.00, 101.02, 90.00 |
Refinement procedure
| Resolution | 39.230 - 1.850 |
| R-factor | 0.1911 |
| Rwork | 0.190 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unpublished 17A1 model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.013 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.230 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.030 | 0.465 |
| Number of reflections | 88757 | 12773 |
| <I/σ(I)> | 14.1 | 1.5 |
| Completeness [%] | 98.3 | 97.4 |
| Redundancy | 6.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 100 mM Tris HCl, pH 8.5, 30% PEG 3350, 250 mM Li2SO4, 3% glycerol, covered with Al's oil |
