3BHI
Crystal structure of human Carbonyl Reductase 1 in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-06-11 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 55.662, 55.662, 169.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.560 - 2.270 |
| R-factor | 0.206 |
| Rwork | 0.202 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wma |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.076 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.350 |
| High resolution limit [Å] | 2.270 | 4.890 | 2.270 |
| Rmerge | 0.178 | 0.080 | 0.665 |
| Number of reflections | 13104 | ||
| <I/σ(I)> | 5 | ||
| Completeness [%] | 99.7 | 97.8 | 100 |
| Redundancy | 5.3 | 4.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | vapor diffusion, hanging drop, temperature 298K, pH7.5, VAPOR DIFFUSION, HANGING DROP |
