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 |