8DCM
Crystal structure of Clostridioides difficile binary toxin proCDTb lacking D4 in complex with BINTOXB/22 Fab
This is a non-PDB format compatible entry.
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 | 2021-02-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.229, 118.480, 166.119 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.240 - 2.500 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6uwt |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.642 |
| 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] | 96.460 | 2.580 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 45722 | 3686 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 93.8 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.990 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 30% PEG8000, 0.09 M sodium nitrate, 0.09 M sodium phosphate dibasic, 0.09 M ammonium sulfate, 0.1 M imidazole pH 6.5, 0.1 M MES pH 6.5 |
