2Q9G
Crystal structure of human cytochrome P450 46A1
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 | 121.350, 121.350, 142.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.210 - 2.400 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CYP46A1-C3S PDB ENTRY 2q9f |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.450 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.098 | 0.900 |
| Number of reflections | 21106 | |
| <I/σ(I)> | 34.6 | 1.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | PEG8000, Potassium Phosphate, Glycerol, NaCl, PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K, VAPOR DIFFUSION, SITTING DROP |
