4DNZ
The crystal structures of CYP199A4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.305, 143.229, 171.596 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.640 - 2.600 |
| R-factor | 0.20089 |
| Rwork | 0.198 |
| R-free | 0.25620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fr7 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.758 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.087 | 0.424 |
| Number of reflections | 77495 | |
| <I/σ(I)> | 18.4 | 3.56 |
| Completeness [%] | 95.7 | 81.9 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M Bis-Tris, 1.5M ammonium sulfate, 0.1M sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
