7M8V
Human CYP11B2 in complex with LCI699
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-08-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.1271 |
Spacegroup name | P 1 |
Unit cell lengths | 123.946, 126.423, 174.928 |
Unit cell angles | 82.81, 70.03, 79.37 |
Refinement procedure
Resolution | 37.950 - 3.080 |
R-factor | 0.2023 |
Rwork | 0.202 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fdh |
RMSD bond length | 0.004 |
RMSD bond angle | 0.624 |
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] | 38.000 | 3.120 |
High resolution limit [Å] | 3.070 | 3.070 |
Rpim | 0.081 | 0.620 |
Number of reflections | 164951 | 8467 |
<I/σ(I)> | 9.3 | 1.2 |
Completeness [%] | 92.8 | 95 |
Redundancy | 3.7 | 3.5 |
CC(1/2) | 0.988 | 0.549 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES (pH 7.5) 4% PEG 8,000 |