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) |
