2I17
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 60 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.635 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.214, 66.701, 47.307 |
| Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.810 |
| R-factor | 0.0767 |
| Rwork | 0.076 |
| R-free | 0.09070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.039 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.840 |
| High resolution limit [Å] | 0.810 | 0.810 |
| Rmerge | 0.045 | 0.213 |
| Number of reflections | 297530 | |
| <I/σ(I)> | 21.9 | 6.2 |
| Completeness [%] | 96.4 | 93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | pH 5.0 |
