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 |
