4GCA
Complex of Aldose Reductase with inhibitor IDD 1219
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-30 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.90042 |
Spacegroup name | P 1 |
Unit cell lengths | 47.102, 47.218, 39.953 |
Unit cell angles | 67.83, 76.96, 76.15 |
Refinement procedure
Resolution | 14.737 - 0.900 |
R-factor | 0.1344 |
Rwork | 0.134 |
R-free | 0.14540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.334 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX (dev_1092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.000 | 15.000 | 0.930 |
High resolution limit [Å] | 0.900 | 2.060 | 0.900 |
Rmerge | 0.046 | ||
Number of reflections | 210640 | ||
<I/σ(I)> | 30.6 | ||
Completeness [%] | 92.8 | 98.6 | 70.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 20% PEG 6000 IN 120 MM AMMONIUM CITRATE, PH 5.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE , temperature 277K |