4IGS
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.70849 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.536, 66.880, 47.525 |
| Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
| Resolution | 30.861 - 0.850 |
| R-factor | 0.1352 |
| Rwork | 0.135 |
| R-free | 0.14330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.452 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.880 |
| High resolution limit [Å] | 0.850 | 0.850 |
| Rmerge | 0.033 | 0.311 |
| Number of reflections | 498513 | |
| <I/σ(I)> | 23.3 | 2.43 |
| Completeness [%] | 93.0 | 75.9 |
| Redundancy | 2.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 20% PEG 6000, 100 mM MES, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
