3NV6
Crystal Structure of Camphor-Bound 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 | 2008-03-18 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 86.080, 86.080, 123.867 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.640 - 2.200 |
| R-factor | 0.19187 |
| Rwork | 0.189 |
| R-free | 0.25458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nv5 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.683 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.043 | 0.232 |
| Number of reflections | 27333 | |
| <I/σ(I)> | 33.2 | 5.8 |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 291 | 0.1M Tris, pH 8.3, 2.1M ammonium sulfate, 4% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
