4JQ4
AKR1C2 complex with indomethacin
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 | 142.454, 142.454, 206.388 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.700 - 1.520 |
| R-factor | 0.2001 |
| Rwork | 0.197 |
| R-free | 0.25138 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | inhouse unliganded |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.259 |
| 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] | 19.700 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Number of reflections | 121432 | |
| Completeness [%] | 99.5 | 91.9 |
| Redundancy | 34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 0.2 M diammonium-L-tartrate , VAPOR DIFFUSION, SITTING DROP, temperature 291K |
