3MC5
Human Aldose Reductase mutant T113V in complex with IDD393 crystallized in spacegroup P1
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 | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 |
Unit cell lengths | 40.150, 47.190, 47.300 |
Unit cell angles | 76.10, 67.54, 76.97 |
Refinement procedure
Resolution | 10.000 - 1.140 |
Rwork | 0.123 |
R-free | 0.15840 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 0.027 |
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 | 1.160 |
High resolution limit [Å] | 1.140 | 1.140 |
Number of reflections | 98633 | |
<I/σ(I)> | 16 | 6.4 |
Completeness [%] | 88.0 | 78.9 |
Redundancy | 1.8 | 1.7 |
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 |