3LD5
Human aldose reductase mutant T113S complexed with IDD594
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 | 2008-06-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | .91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.220, 66.780, 47.280 |
| Unit cell angles | 90.00, 92.31, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.270 |
| R-factor | 0.1249 |
| Rwork | 0.124 |
| R-free | 0.16090 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.028 |
| 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] | 30.000 | 1.290 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Number of reflections | 77285 | |
| <I/σ(I)> | 16 | 2.9 |
| Completeness [%] | 100.0 | 79.2 |
| Redundancy | 2.9 | 1.8 |
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 |
