5CCA
Crystal structure of Mtb toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 105.555, 105.555, 142.417 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 91.410 - 3.200 |
| R-factor | 0.29969 |
| Rwork | 0.300 |
| R-free | 0.30243 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vub |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.645 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MR-Rosetta |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.474 | |
| Number of reflections | 9692 | |
| <I/σ(I)> | 22.1 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.5 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M Bis Tris propane pH 7.0, 1.0 M ammonium, 5mM spermidine and 20% glycerol |
