3KOH
Cytochrome P450 2E1 with omega-imidazolyl octanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-21 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 |
| Unit cell lengths | 71.185, 71.185, 224.862 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.590 - 2.900 |
| R-factor | 0.2107 |
| Rwork | 0.206 |
| R-free | 0.29199 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e6i |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.527 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.010 | 2.980 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 24282 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 98.3 | 99.1 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Na HEPES pH 7.5, 5% Isopropanol, 22% PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
