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 |