2J8T
Human aldose reductase in complex with NADP and citrate at 0.82 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 10 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.450, 66.760, 49.310 |
| Unit cell angles | 90.00, 91.55, 90.00 |
Refinement procedure
| Resolution | 34.600 - 0.820 |
| R-factor | 0.0993 |
| R-free | 0.11280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1el3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 0.850 |
| High resolution limit [Å] | 0.820 | 0.820 |
| Rmerge | 0.040 | 0.080 |
| Number of reflections | 282677 | |
| <I/σ(I)> | 26.1 | 11.8 |
| Completeness [%] | 94.4 | 90.4 |
| Redundancy | 4.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | AS DESCRIBED IN LAMOUR ET AL. (1999) ACTA CRYSTALL. SECTION D 55: 721-723, pH 5.00 |
