7M8I
Human CYP11B2 and human adrenodoxin in complex with fadrozole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-08-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.579, 208.700, 124.919 |
Unit cell angles | 90.00, 114.07, 90.00 |
Refinement procedure
Resolution | 48.160 - 2.940 |
R-factor | 0.2107 |
Rwork | 0.210 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fdh 3p1m |
RMSD bond length | 0.012 |
RMSD bond angle | 1.161 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.990 |
High resolution limit [Å] | 2.933 | 2.933 |
Rpim | 0.073 | 0.612 |
Number of reflections | 69937 | 3458 |
<I/σ(I)> | 11.06 | 1.2 |
Completeness [%] | 100.0 | |
Redundancy | 7.7 | |
CC(1/2) | 0.991 | 0.560 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M lithium sulfate 0.1 M Tris hydrochloride, pH 8.5 30% PEG 4,000 |