2GR9
Crystal structure of P5CR complexed with NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 208.182, 122.642, 120.708 |
| Unit cell angles | 90.00, 122.03, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.100 |
| R-factor | 0.243 |
| Rwork | 0.241 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ger |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.939 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 158126 | |
| Completeness [%] | 99.0 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.8-1M sodium acetate, 30-40mM imidazole (pH 6.5), 50-60mM Tris-HCl (pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 291K |
