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 |
