1T40
Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 300 |
Detector technology | AREA DETECTOR |
Collection date | 2000-11-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9797 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.000, 67.240, 47.780 |
Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
Resolution | 7.990 - 1.800 |
R-factor | 0.159 |
Rwork | 0.159 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.047 | 0.170 |
Number of reflections | 29192 | |
<I/σ(I)> | 12 | 5.4 |
Completeness [%] | 95.5 | 80 |
Redundancy | 1.5 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 300 | PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |