3MZS
Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.450, 94.630, 113.500 |
| Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
| Resolution | 60.010 - 2.500 |
| R-factor | 0.266 |
| Rwork | 0.266 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k9v |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.684 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.500 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.068 | 0.444 |
| Number of reflections | 76291 | |
| <I/σ(I)> | 5.8 | 1.6 |
| Completeness [%] | 95.5 | 97.5 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 285 | 16% PEG 1000, 10% Jeffamine ED-2001, 20% glycerol, 0.1 M MES, pH 7.0, VAPOR DIFFUSION, temperature 285K |
