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 |