5GTT
Crystal structure of C. perfringens iota-like enterotoxin CPILE-a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-09-04 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.338, 100.665, 126.003 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.832 - 2.011 |
R-factor | 0.1793 |
Rwork | 0.176 |
R-free | 0.22860 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.084 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.040 |
High resolution limit [Å] | 2.010 | 2.010 |
Number of reflections | 29584 | |
<I/σ(I)> | 31.2 | 2.88 |
Completeness [%] | 98.3 | 85.8 |
Redundancy | 6.7 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277.15 | PEG 4000, Tris HCl, Magnesium chloride |