3NV5
Crystal Structure of Cytochrome P450 CYP101D2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-02-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 86.653, 86.653, 124.705 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.960 - 2.410 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.26016 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lxh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.559 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.060 | 0.474 |
| Number of reflections | 20779 | |
| <I/σ(I)> | 25.7 | 3.5 |
| Completeness [%] | 96.2 | 98.4 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 291 | 0.1M Tris, 2.1M ammonium sulfate, 4% PEG 400, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
