1PYF
Structure of NADPH-dependent family 11 aldo-keto reductase AKR11A(apo)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-01-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97903, 0.88558, 0.97922 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.277, 88.101, 94.566 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.22200 |
| Structure solution method | MAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.780 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.059 | 0.400 |
| Total number of observations | 158756 * | |
| Number of reflections | 36324 * | |
| <I/σ(I)> | 16.6 | 3.9 |
| Completeness [%] | 98.8 * | 94.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.9 * | 4 * | PEG 3000, CHES, pH 9.86, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 46 (mg/ml) | |
| 2 | 1 | reservoir | CHES | 100 (mM) | pH9.9 |
| 3 | 1 | reservoir | PEG3000 | 32 (%(w/v)) |
