1NVT
Crystal structure of Shikimate Dehydrogenase (AROE or MJ1084) in complex with NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97938 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.650, 75.620, 118.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 2.350 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26000 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.060 | 0.343 |
| Total number of observations | 852196 * | |
| Number of reflections | 53845 | |
| <I/σ(I)> | 29 | 5.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 15.83 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 25 * | PEG 3350, Ammonium Fluoride, HEPES buffer, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 20 (mM) | pH7.1 |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | protein | 10 (mg/ml) | |
| 4 | 1 | reservoir | HEPES | 20 (mM) | pH7.1 |
| 5 | 1 | reservoir | PEG3350 | 20 (%) | |
| 6 | 1 | reservoir | ammonium fluoride | 200 (mM) |
