6TUC
Human Aldose Reductase in complex with ALR25
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-10 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.185, 66.529, 49.224 |
Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
Resolution | 49.190 - 1.060 |
R-factor | 0.1273 |
Rwork | 0.126 |
R-free | 0.14330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4prt |
RMSD bond length | 0.006 |
RMSD bond angle | 0.995 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.190 | 1.120 |
High resolution limit [Å] | 1.060 | 1.060 |
Number of reflections | 132582 | 20046 |
<I/σ(I)> | 14.8 | 3.6 |
Completeness [%] | 96.3 | 90.3 |
Redundancy | 3.6 | |
CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | PEG 6000, DTT, diammonium hydrogen citrate, NADP+ |