2GPT
Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate
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 | 2004-11-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 96.934, 96.934, 116.157 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.460 - 1.950 |
R-factor | 0.232 |
Rwork | 0.232 |
R-free | 0.25600 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.800 |
Data reduction software | CAD4 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.058 | 0.635 |
Number of reflections | 46428 | |
<I/σ(I)> | 42.9 | 3.3 |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 7.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.4 mM Sodium Tartrate tetrahydrate, 0.1 M tri-Sodium Citrate dihydrate pH5.6, 2.8 M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.4 mM Sodium Tartrate tetrahydrate, 0.1 M tri-Sodium Citrate dihydrate pH5.6, 2.8 M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |