3R58
AKR1C3 complex with naproxen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979419 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.759, 64.934, 96.273 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.850 - 2.300 |
| R-factor | 0.18164 |
| Rwork | 0.180 |
| R-free | 0.22011 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.813 |
| 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] | 19.850 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 16952 | |
| <I/σ(I)> | 12.8 | 3.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.3 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 275 | 200 mM sodium acetate, 20 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 275K |
