3U2C
Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-06-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.88561 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.095, 67.207, 49.419 |
Unit cell angles | 90.00, 92.38, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.000 |
R-factor | 0.114 |
Rwork | 0.113 |
R-free | 0.13760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1el3 |
RMSD bond length | 0.016 |
RMSD bond angle | 2.300 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.700 |
High resolution limit [Å] | 1.000 |
Rmerge | 0.050 |
Number of reflections | 155837 |
<I/σ(I)> | 17.72 |
Completeness [%] | 100.0 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 278 | ammonium citrate, PEG4000, pH 5, VAPOR DIFFUSION, temperature 278K |