2Q9F
Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate
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 | 2007-01-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 121.850, 121.850, 144.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.080 - 1.900 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.21600 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.680 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.096 | 0.970 |
| Number of reflections | 42756 | |
| <I/σ(I)> | 14.8 | 1.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | PEG8000, Potassium Phosphate, Glycerol, NaCl, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K, pH 4.6, VAPOR DIFFUSION, SITTING DROP |
