4NKV
Human steroidogenic cytochrome P450 17A1 mutant A105L 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 | 2013-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.670, 153.251, 167.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.592 - 2.646 |
| R-factor | 0.1934 |
| Rwork | 0.191 |
| R-free | 0.24250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3swz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.310 | 2.790 |
| High resolution limit [Å] | 2.646 | 2.646 |
| Number of reflections | 68380 | |
| Completeness [%] | 99.3 | 96.1 |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Tris-HCl, 150 mM magnesium chloride hexahydrate, 25% PEG4000, 6% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
