8DCN
Crystal structure of Clostridioides difficile binary toxin CDTb D4 fragment in complex with BINTOXB/9 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2020-11-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 98.209, 111.760, 148.349 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.880 - 2.600 |
| R-factor | 0.2281 |
| Rwork | 0.227 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6uwt |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.581 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.880 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 50515 | 4574 |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 99.2 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.990 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 10.1% PEG3350, 13.4% 2-propanol, 0.2 M ammonium citrate pH 7.5 |
