1KEV
STRUCTURE OF NADP-DEPENDENT ALCOHOL DEHYDROGENASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-09-22 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.450, 151.420, 127.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ped |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.720 * |
| Data reduction software | HKL ((DENZO)) |
| Data scaling software | HKL ((SCALEPACK)) |
| Phasing software | REPLACE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 97572 | |
| <I/σ(I)> | 18.1 | 3.19 |
| Completeness [%] | 88.2 | 69.3 |
| Redundancy | 3.33 | 2.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.2 | SEE REFERENCE 1, pH 8.2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 6.5 (mg/ml) | |
| 2 | 1 | drop | NADP+ | 1.5 (mM) | |
| 3 | 1 | drop | PEG4000 | 10.5 (%) | |
| 4 | 1 | drop | 50 (mM) | ||
| 5 | 1 | drop | Tris-HCl | 50 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 11.5 (%) |
