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 |