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) |