4DTH
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mg++
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-04 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 128.680, 128.680, 76.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.060 - 1.780 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.041 | 0.514 |
| Number of reflections | 62298 | |
| <I/σ(I)> | 26.5 | 3.6 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 6.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.3 | 293 | mixing 300 nL of protein at 13mg/mL with 100 nL of 2.4 M AmSO4, 0.1 M Bi-Tris pH 6,3. , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
