3Q65
Human Aldose Reductase in Complex with NADP+ in Space Group P212121
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.934, 86.046, 105.104 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.520 - 2.090 |
R-factor | 0.2089 |
Rwork | 0.206 |
R-free | 0.26030 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.384 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.111 | 0.109 | 0.399 |
Number of reflections | 45182 | ||
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.3 | 99.5 | 98.2 |
Redundancy | 6.2 | 6.3 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 2.04 M Ammonium Sulfate, 0.1M HEPES pH 7.5, 7% polyethylene glycol 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K |