4MGJ
Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 91.490, 91.490, 150.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.310 - 2.410 |
| R-factor | 0.2217 |
| Rwork | 0.219 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 27822 |
| Completeness [%] | 97.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M magnesium acetate, 0.1 M sodium cacodylate, 10-10% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
