4DTF
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with AMP-PNP and Mg++
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-01-20 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 128.390, 128.390, 76.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.390 - 2.120 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dtd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| 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 | 2.170 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.068 | 0.480 |
| Number of reflections | 36963 | |
| <I/σ(I)> | 26.1 | 4.3 |
| Completeness [%] | 100.0 | 96.4 |
| Redundancy | 15.6 | 14 |
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., temperature 293K |
