8U5D
Crystal Structure of C-terminal domain of Clostridium perfringens Enterotoxin in Space Group P 41 21 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 65.120, 65.120, 130.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.700 - 1.600 |
R-factor | 0.1975 |
Rwork | 0.196 |
R-free | 0.22260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.248 |
Data reduction software | XDS (0.82) |
Data scaling software | pointless |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.700 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 70024 | 5197 |
<I/σ(I)> | 10.8 | 0.42 |
Completeness [%] | 99.5 | |
Redundancy | 1.73 | |
CC(1/2) | 0.995 | 0.127 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 292.15 | 100 mM sodium acetate pH 4.5, 200 mM sodium chloride, and 1.3 M ammonium sulphate |