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 |