1O9B
QUINATE/SHIKIMATE DEHYDROGENASE YDIB COMPLEXED WITH NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-08-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 64 |
| Unit cell lengths | 157.874, 157.874, 40.011 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 2.500 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.29400 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.028 * | 0.160 * |
| Number of reflections | 38407 | |
| <I/σ(I)> | 25.5 | 7.2 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 21 * | KH2PO4, NAH2PO4, HEPES, pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.0 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | glycerol | 5 (%(w/v)) | |
| 5 | 1 | drop | dithiothreitol | 5 (mM) | |
| 6 | 1 | reservoir | potassium phosphate | 0.8 (M) | |
| 7 | 1 | reservoir | sodium phosphate | 0.8 (M) | |
| 8 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 9 | 1 | reservoir | NADH | 2 (mM) |
