4XZI
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-09-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.065, 84.780, 105.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.032 - 2.450 |
R-factor | 0.2225 |
Rwork | 0.219 |
R-free | 0.28950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1us0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.433 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.358 | |
Number of reflections | 12391 | |
<I/σ(I)> | 15.25 | 3.06 |
Completeness [%] | 99.1 | 96.9 |
Redundancy | 4.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 10 mM Tris-HCl, pH 8.0, 20% polyethylene glycol, PEG 6000 |