4DTL
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mn++
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-02-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 128.480, 128.480, 76.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.880 - 2.390 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER (2.11.2) |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.129 | 0.650 |
| Number of reflections | 25641 | |
| <I/σ(I)> | 11.5 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.2 | 4.2 |
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, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.3 |
