5G5J
Crystal structure of human CYP3A4 bound to metformin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2012-12-08 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 77.000, 101.070, 128.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.400 - 2.600 |
| R-factor | 0.20608 |
| Rwork | 0.202 |
| R-free | 0.27942 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ua1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.472 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.310 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.070 | 0.560 |
| Number of reflections | 15443 | |
| <I/σ(I)> | 10.5 | 2 |
| Completeness [%] | 98.2 | 99.6 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 12% PEG 3350, 0.1M SODIUM ACETATE PH 7.0 |
