1PZ1
Structure of NADPH-dependent family 11 aldo-keto reductase AKR11B(holo)
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, 0.88557, 0.97922 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.255, 117.366, 59.787 |
| Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.200 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.24200 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.470 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.066 | 0.209 |
| Total number of observations | 134257 * | |
| Number of reflections | 37796 * | |
| <I/σ(I)> | 15.49 | 5.02 |
| Completeness [%] | 98.4 * | 88.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.74 | 4 * | PEG 8000, sodium acetate, imidazole, pH 7.74, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14.4 (mg/ml) | |
| 2 | 1 | drop | NADP+ | 5 (mM) | |
| 3 | 1 | reservoir | PEG8000 | 25 (%) | |
| 4 | 1 | reservoir | sodium acetate | 160 (mM) | |
| 5 | 1 | reservoir | imidazole | 100 (mM) | pH7.74 |
