3AFN
Crystal structure of aldose reductase A1-R complexed with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-19 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.404, 64.195, 74.441 |
| Unit cell angles | 80.15, 66.08, 64.98 |
Refinement procedure
| Resolution | 22.680 - 1.630 |
| R-factor | 0.17411 |
| Rwork | 0.172 |
| R-free | 0.20858 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3afm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.056 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.035 | 0.179 |
| Number of reflections | 115155 | |
| <I/σ(I)> | 19.7 | 3.82 |
| Completeness [%] | 95.9 | 88.8 |
| Redundancy | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 47% 2-methyl-2,4-pentanediol, 2% tert-butanol, 0.5mM NADP, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.5 |
