4P2C
Complex of Shiga toxin 2e with a neutralizing single-domain antibody
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-12 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 191.838, 88.192, 100.664 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.714 - 2.818 |
R-factor | 0.1898 |
Rwork | 0.186 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.345 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1117)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.100 |
High resolution limit [Å] | 2.818 |
Number of reflections | 42054 |
<I/σ(I)> | 7.1 |
Completeness [%] | 99.9 |
Redundancy | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 0.5 ?L sitting drops and a complex-to-well solution (0.5 M succinic acid pH 7.0, 0.1M Bis-Tris propane pH 7.0) ratio of 1:1 (v/v). |