2J42
low quality crystal structure of the transport component C2-II of the C2-toxin from Clostridium botulinum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 104.400, 104.400, 153.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.130 |
R-factor | 0.4127 |
Rwork | 0.413 |
R-free | 0.43260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1acc |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | TNT (BUSTER/TNT) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.220 |
High resolution limit [Å] | 3.100 | 3.130 |
Rmerge | 0.080 | 0.440 |
Number of reflections | 15486 | |
<I/σ(I)> | 21.5 | 5.7 |
Completeness [%] | 99.6 | 100 |
Redundancy | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | PROTEIN: 3 MG/ML IN H2O RESERVOIR: 0.1 M SODIUM ACETATE PH 4.6, 1.5 M (NH4)2SO4, 5 % ISOPROPANOL, 3 % ETHANOL |