6MA8
Human CYP3A4 bound to PMSF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2014-12-17 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.19 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.220, 99.620, 131.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.218 - 1.830 |
R-factor | 0.1847 |
Rwork | 0.182 |
R-free | 0.22860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vcc |
RMSD bond length | 0.007 |
RMSD bond angle | 0.964 |
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] | 66.640 | 1.930 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.071 | 1.635 |
Rpim | 0.035 | 0.737 |
Number of reflections | 45087 | 6526 |
<I/σ(I)> | 9 | 0.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.8 | 4.8 |
CC(1/2) | 0.998 | 0.330 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 298 | PEG 3350, sodium malonate |