5H5X
Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-01-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 |
Unit cell lengths | 187.787, 187.787, 80.858 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.496 - 2.300 |
R-factor | 0.1825 |
Rwork | 0.179 |
R-free | 0.24260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.234 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.141 | 0.070 | 0.632 |
Number of reflections | 118981 | ||
<I/σ(I)> | 11.1 | ||
Completeness [%] | 84.0 | 91.3 | 83.7 |
Redundancy | 2.1 | 2.9 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG 8000, 0.1 M cacodylate sodium pH 6.5, 0.2 M Mg(OAc)2 |