3LQL
Human Aldose Reductase mutant T113A complexed with IDD 594
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 | 2008-02-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.290, 66.910, 47.360 |
Unit cell angles | 90.00, 92.22, 90.00 |
Refinement procedure
Resolution | 7.970 - 1.130 |
R-factor | 0.1012 |
Rwork | 0.101 |
R-free | 0.12720 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.015 |
RMSD bond angle | 0.136 |
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] | 8.000 | 1.150 |
High resolution limit [Å] | 1.130 | 1.130 |
Number of reflections | 110269 | |
<I/σ(I)> | 22.5 | 9.8 |
Completeness [%] | 96.3 | 98.3 |
Redundancy | 2.7 | 2.3 |
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 |