3QKZ
Crystal structure of mutant His269Arg AKR1B14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.859, 69.302, 87.946 |
| Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.870 |
| R-factor | 0.16703 |
| Rwork | 0.164 |
| R-free | 0.23172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o3r |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.869 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.037 | 0.117 |
| Number of reflections | 46136 | |
| <I/σ(I)> | 20.8 | 5.4 |
| Completeness [%] | 95.6 | 86.1 |
| Redundancy | 3.45 | 2.86 |
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, 2% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K, temperature 295.0K |
