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 |
