4XZH
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.70850 |
Spacegroup name | P 1 |
Unit cell lengths | 46.485, 46.684, 68.315 |
Unit cell angles | 75.02, 78.93, 74.42 |
Refinement procedure
Resolution | 35.582 - 1.000 |
R-factor | 0.1494 |
Rwork | 0.149 |
R-free | 0.16100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1us0 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.446 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1426)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.040 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.232 | |
Number of reflections | 246041 | |
<I/σ(I)> | 22.31 | 2.44 |
Completeness [%] | 85.9 | 73.3 |
Redundancy | 1.6 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |