1PZ0
Structure of NADPH-dependent family 11 aldo-keto reductase AKR11A(holo)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.525, 84.262, 93.953 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AKR11A(apo) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.460 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.093 | 0.218 |
| Total number of observations | 45409 * | |
| Number of reflections | 14813 * | |
| <I/σ(I)> | 17 | 3.3 |
| Completeness [%] | 94.3 * | 96.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.4 * | 4 * | PEG 3000, NADP+, pH 10.37, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6.9 (mg/ml) | |
| 2 | 1 | drop | NADP+ | 5 (mM) | |
| 3 | 1 | reservoir | PEG3000 | 40 (%) | pH10.4 |
