3CV7
Crystal structure of porcine aldehyde reductase ternary complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-02-20 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 67.385, 67.385, 246.106 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.412 |
| R-factor | 0.19364 |
| Rwork | 0.191 |
| R-free | 0.24675 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2AO0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.622 |
| Data reduction software | AUTOMAR |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.412 | 2.412 |
| Number of reflections | 12533 | |
| <I/σ(I)> | 15.6 | 6.2 |
| Completeness [%] | 92.0 | 83.2 |
| Redundancy | 6.88 | 5.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 2M ammonium sulphate, 0.1M tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
