4NP4
Clostridium difficile toxin B CROP domain in complex with FAB domains of neutralizing antibody bezlotoxumab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2013-02-04 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.413, 134.659, 102.579 |
Unit cell angles | 90.00, 112.56, 90.00 |
Refinement procedure
Resolution | 42.310 - 2.890 |
R-factor | 0.1987 |
Rwork | 0.198 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qeg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.330 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.365 | 2.900 |
High resolution limit [Å] | 2.890 | 2.890 |
Number of reflections | 44417 | |
Completeness [%] | 99.5 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | 4% PEG 4000, pH 7.5, VAPOR DIFFUSION, temperature 277K |