3GPH
Human cytochrome P450 2E1 in complex with omega-imidazolyl-decanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 43 |
| Unit cell lengths | 70.709, 70.709, 222.823 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.310 - 2.700 |
| R-factor | 0.21609 |
| Rwork | 0.212 |
| R-free | 0.28261 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e61 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.909 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.104 | 0.457 |
| Number of reflections | 28493 | |
| <I/σ(I)> | 17.071 | |
| Completeness [%] | 95.4 | 93.4 |
| Redundancy | 6.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Na HEPES, 5% Isopropanol, 20% PEG 2000 MME, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
