1NPD
X-RAY STRUCTURE OF SHIKIMATE DEHYDROGENASE COMPLEXED WITH NAD+ FROM E.COLI (YDIB) NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TARGET ER24
Experimental procedure
| Experimental method | MULTIPLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2002-11-22 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.979, 0.9787, 0.92 |
| Spacegroup name | P 64 |
| Unit cell lengths | 157.185, 157.185, 39.782 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 2.300 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.27400 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.096 * | 0.373 |
| Number of reflections | 48734 | |
| <I/σ(I)> | 31.2 | 5.31 |
| Completeness [%] | 99.8 | |
| Redundancy | 10.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 21 * | 200mM ammonium acetate, 100mM tri-sodium citrate dihydrate, 25% PEG 6000, pH 5.2, temperature 294K, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 25 (%) | |
| 2 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 3 | 1 | reservoir | trisodium citrate dihydrate | 100 (mM) | pH5.2 |
| 4 | 1 | drop | Tris | 10 (mM) | |
| 5 | 1 | drop | 100 (mM) | ||
| 6 | 1 | drop | dithiothreitol | 5 (mM) | pH8.0 |
| 7 | 1 | drop | protein | 10 (mg/ml) |
