3MVR
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 31 |
| Unit cell lengths | 91.470, 91.470, 150.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 150.000 - 1.760 |
| R-factor | 0.19753 |
| Rwork | 0.196 |
| R-free | 0.22368 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q6n |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.443 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 150.000 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.764 |
| Rmerge | 0.060 | 0.340 |
| Number of reflections | 135654 | |
| <I/σ(I)> | 7.9 | 2.2 |
| Completeness [%] | 97.9 | 96.8 |
| Redundancy | 4.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 14.4 % (w/v) PEG 8000, 0.08M cacodylate pH 6.5, 0.6M calcium acetate, 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
