4JQA
AKR1C2 complex with mefenamic acid
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 | 2012-09-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 144.979, 144.979, 201.512 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.900 - 1.450 |
| R-factor | 0.14611 |
| Rwork | 0.144 |
| R-free | 0.18358 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.270 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.600 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 138182 | |
| Completeness [%] | 96.6 | 82.4 |
| Redundancy | 17.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 291 | 20% PEG 3350, 0.2M diammonium l-tartrate , pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
