3LC4
Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic 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 | 2009-05-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 |
| Unit cell lengths | 70.779, 70.779, 224.629 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.930 - 3.100 |
| R-factor | 0.20139 |
| Rwork | 0.198 |
| R-free | 0.27013 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e6i |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.504 |
| 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 | 3.180 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 19925 | |
| <I/σ(I)> | 1.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | NaHEPES pH 7.5, 5% iso-propanol, 22% PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
