6TUC
Human Aldose Reductase in complex with ALR25
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-10 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.185, 66.529, 49.224 |
| Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
| Resolution | 49.190 - 1.060 |
| R-factor | 0.1273 |
| Rwork | 0.126 |
| R-free | 0.14330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4prt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.995 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.190 | 1.120 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Number of reflections | 132582 | 20046 |
| <I/σ(I)> | 14.8 | 3.6 |
| Completeness [%] | 96.3 | 90.3 |
| Redundancy | 3.6 | |
| CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | PEG 6000, DTT, diammonium hydrogen citrate, NADP+ |
