7KVM
Human CYP3A4 bound to an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2017-06-17 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.987 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.650, 101.200, 129.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.842 - 2.750 |
R-factor | 0.2299 |
Rwork | 0.227 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vcc |
RMSD bond length | 0.003 |
RMSD bond angle | 0.661 |
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] | 79.680 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 12997 | 1900 |
<I/σ(I)> | 8.2 | |
Completeness [%] | 96.2 | |
Redundancy | 4.1 | |
CC(1/2) | 0.996 | 0.342 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 298 | PEG 3350, sodium malonate |