3UWE
AKR1C3 complexed with 3-phenoxybenzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-14 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.473, 64.699, 96.959 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 1.680 |
| R-factor | 0.18537 |
| Rwork | 0.184 |
| R-free | 0.21425 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fgb |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.230 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.810 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.060 | 0.735 |
| Number of reflections | 42862 | |
| <I/σ(I)> | 39.4 | 4.7 |
| Completeness [%] | 99.6 | 97.6 |
| Redundancy | 21.8 | 18.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 200mM sodium acetate, 20% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
