3UG8
AKR1C3 complex with indomethacin at pH 7.5
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 | 2011-10-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5417 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.663, 63.940, 96.524 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.500 - 1.730 |
R-factor | 0.17411 |
Rwork | 0.173 |
R-free | 0.20011 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fgb |
RMSD bond length | 0.026 |
RMSD bond angle | 2.131 |
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] | 19.500 | 1.820 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.086 | 0.650 |
Number of reflections | 36026 | |
<I/σ(I)> | 26.8 | 4.6 |
Completeness [%] | 96.7 | 91.6 |
Redundancy | 24.7 | 14.9 |
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 |