2HRB
Crystal Structure of human Carbonyl Reductase 3, complexed with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-06-19 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.356, 60.140, 88.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.060 - 1.900 |
R-factor | 0.215 |
Rwork | 0.212 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wma |
RMSD bond length | 0.017 |
RMSD bond angle | 1.646 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.673 | 1.990 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.093 | 0.391 |
Number of reflections | 24038 | |
<I/σ(I)> | 3 | |
Completeness [%] | 99.3 | 97.9 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.8M tri-ammonium citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |