7KVO
Human CYP3A4 bound to an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2020-10-18 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.0 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 92.882, 98.084, 126.772 |
Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
Resolution | 49.040 - 2.650 |
R-factor | 0.2437 |
Rwork | 0.241 |
R-free | 0.29280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vcc |
RMSD bond length | 0.003 |
RMSD bond angle | 0.570 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.040 | 2.790 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 33059 | 4799 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.390 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 298 | PEG 3350, sodium succinate |