6M7X
Structure of human CYP11B1 in complex with fadrozole
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 | 2018-05-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 4 |
| Unit cell lengths | 140.570, 140.570, 145.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.446 - 2.095 |
| R-factor | 0.1894 |
| Rwork | 0.189 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fdh |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.540 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.450 | 2.210 |
| High resolution limit [Å] | 2.095 | 2.100 |
| Rpim | 0.038 | 0.443 |
| Number of reflections | 82404 | 11667 |
| <I/σ(I)> | 10 | 1.5 |
| Completeness [%] | 99.5 | 96.6 |
| Redundancy | 6.7 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M imidazole (pH 7.0), 12% PEG 20,000 |
