1HE1
Crystal structure of the complex between the GAP domain of the Pseudomonas aeruginosa ExoS toxin and human Rac
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-07-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.025, 125.087, 136.284 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.000 |
R-factor | 0.175 |
Rwork | 0.175 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1DS6 CHAIN A |
RMSD bond length | 0.008 |
RMSD bond angle | 1.360 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.065 * | 0.285 * |
Total number of observations | 527331 * | |
Number of reflections | 53976 * | |
<I/σ(I)> | 21.3 | 4.9 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 9.8 | 3.5 * |
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 | 1 (mM) | ||
2 | 1 | drop | 20 (mM) | ||
3 | 1 | drop | DTE | 3 (mM) | |
4 | 1 | drop | Tris-HCl | 30 (mM) | |
5 | 1 | drop | protain | 20 (mg/ml) | |
6 | 1 | reservoir | PEG6000 | 8 (%(w/v)) | |
7 | 1 | reservoir | 3 (mM) | ||
8 | 1 | reservoir | Tris-HCl | 100 (mM) |