2FZD
Human aldose reductase complexed with tolrestat at 1.08 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.450, 66.679, 46.060 |
| Unit cell angles | 90.00, 92.45, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.080 |
| R-factor | 0.113 |
| Rwork | 0.112 |
| R-free | 0.13900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.037 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.100 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Number of reflections | 123403 | |
| <I/σ(I)> | 17.9 | 8.9 |
| Completeness [%] | 94.5 | 83.3 |
| Redundancy | 2.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 50 mM ammonium citrate, 25 % PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
