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 |
