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 |
