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) |
