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 |
