3O3R
Crystal Structure of AKR1B14 in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-01-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.666, 69.146, 87.833 |
| Unit cell angles | 90.00, 96.47, 90.00 |
Refinement procedure
| Resolution | 28.500 - 1.860 |
| R-factor | 0.1883 |
| Rwork | 0.185 |
| R-free | 0.24890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pwl |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.933 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.048 | 0.280 |
| Number of reflections | 49358 | |
| <I/σ(I)> | 13.5 | 2.3 |
| Completeness [%] | 97.7 | 90.6 |
| Redundancy | 3.48 | 3.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M HEPES pH 7.5, 20% polyethylene glycol 4000, 10% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
