4AST
The apo structure of a bacterial aldo-keto reductase AKR14A1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-10 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.808, 144.317, 113.896 |
| Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
| Resolution | 113.160 - 2.380 |
| R-factor | 0.24119 |
| Rwork | 0.239 |
| R-free | 0.27889 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qrq |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.686 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.070 | 0.500 |
| Number of reflections | 121898 | |
| <I/σ(I)> | 19.8 | 2.2 |
| Completeness [%] | 96.7 | 90.1 |
| Redundancy | 3.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.2M AMMONIUM ACETATE, 0.1M SODIUM ACETATE PH 4.6, 30% PEG4000 |
