4DNJ
The crystal structures of 4-methoxybenzoate bound CYP199A2
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 | 53.917, 73.884, 96.876 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.070 - 1.800 |
| R-factor | 0.16041 |
| Rwork | 0.158 |
| R-free | 0.20537 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rf7 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.928 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.264 |
| Number of reflections | 36209 | |
| <I/σ(I)> | 25.2 | 6.64 |
| Completeness [%] | 98.7 | 97.8 |
| Redundancy | 5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 0.1M Tris, 26% PEG 4000, 10% isopropanol, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
