1HE9
Crystal structure of the GAP domain of the Pseudomonas aeruginosa ExoS toxin
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-07-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9789,0.9790,0.8856,1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.897, 55.646, 107.472 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.257 |
Rwork | 0.257 |
R-free | 0.26500 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 21.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.053 * | 0.175 * |
Total number of observations | 68947 * | |
Number of reflections | 5237 | |
<I/σ(I)> | 34 | 8 |
Completeness [%] | 95.3 * | 98.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | 20 * | used microseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | Tris | 25 (mM) | |
3 | 1 | reservoir | PEG6000 | 16 (%) | |
4 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
5 | 1 | reservoir | 10 (mM) | ||
6 | 1 | reservoir | sodium cacodylate | 100 (mM) |