3UFY
AKR1C3 complex with R-naproxen
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 | 2011-10-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.553, 64.583, 96.556 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 1.900 |
| R-factor | 0.17368 |
| Rwork | 0.173 |
| R-free | 0.19409 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fgb |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.945 |
| 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] | 53.680 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.881 |
| Number of reflections | 29560 | |
| <I/σ(I)> | 37.1 | 5.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 38.8 | 38.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 200mM sodium acetate, 20% mPEG 5000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
