6IJX
Crystal Structure of AKR1C1 complexed with meclofenamic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-22 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.125, 83.262, 48.914 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 24.460 - 2.200 |
| R-factor | 0.1618 |
| Rwork | 0.159 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nty |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.966 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_3283: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.460 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.330 |
| Number of reflections | 15939 | 1580 |
| <I/σ(I)> | 19.92 | |
| Completeness [%] | 99.7 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 23-27% (w/v) PEG 4000, 100 mM Hepes, 10mM CaCl2, 0.4M NaCl |
