3M0I
Human Aldose Reductase mutant T113V in complex with Zopolrestat
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 |
Unit cell lengths | 40.040, 47.030, 47.400 |
Unit cell angles | 76.19, 67.50, 77.34 |
Refinement procedure
Resolution | 10.000 - 1.070 |
R-factor | 0.115 |
R-free | 0.14530 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.022 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Number of reflections | 125098 | |
<I/σ(I)> | 20 | 2.5 |
Completeness [%] | 87.4 | 41.4 |
Redundancy | 2.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 20% PEG 6000, 120mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |