5VCC
Crystal structure of human CYP3A4 bound to glycerol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 2016-07-29 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.127 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 76.300, 98.910, 133.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.622 - 1.700 |
R-factor | 0.1682 |
Rwork | 0.166 |
R-free | 0.20370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tqn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.114 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.820 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.051 | 0.951 |
Rpim | 0.026 | 0.481 |
Number of reflections | 55451 | |
<I/σ(I)> | 12.2 | 1.6 |
Completeness [%] | 99.3 | 100 |
Redundancy | 4.8 | 4.7 |
CC(1/2) | 0.998 | 0.514 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 298 | PEG4000 |