1KAG
Crystal Structure of the Escherichia coli Shikimate Kinase I (AroK)
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 | 2001-08-03 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97962 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.726, 63.417, 67.941 |
Unit cell angles | 90.00, 91.27, 90.00 |
Refinement procedure
Resolution | 20.000 * - 2.050 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.27100 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.700 |
Data reduction software | MARMAD |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 2.130 |
High resolution limit [Å] | 2.050 | 2.030 |
Rmerge | 0.031 | 0.049 |
Number of reflections | 19142 * | |
Completeness [%] | 97.5 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 295 | 30% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 295 | 30% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
3 | 1 | reservoir | PEG5000 MME | 30 (%) | |
4 | 1 | drop | HEPES | 20 (mM) | pH7.5 |
5 | 1 | drop | 100 (mM) | ||
6 | 1 | drop | dithiothreitol | 3 (mM) | |
7 | 1 | drop | protein | 10 (mg/ml) |