5Y7N
Crystal structure of AKR1B10 in complex with NADP+ and Androst-4-ene-3-beta-6-alpha-diol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-11 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 89.864, 89.864, 78.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.940 - 2.500 |
| R-factor | 0.18112 |
| Rwork | 0.178 |
| R-free | 0.24471 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jih |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.867 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.940 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.111 | 0.518 |
| Number of reflections | 12535 | 1828 |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 289 | 100mM Tris, 30-35% PEG 6000, 3-5% 1,6-Hexanediol, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
