12AJ
Citrobacter rodentium contact dependent growth inhibition (CDI) toxin (CdiA-CT) in complex with E. coli GyrB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-03-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.445, 64.955, 70.154 |
| Unit cell angles | 90.00, 101.69, 90.00 |
Refinement procedure
| Resolution | 35.690 - 2.000 |
| R-factor | 0.1786 |
| Rwork | 0.175 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.659 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.690 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.042 | 0.161 |
| Rmeas | 0.057 | 0.216 |
| Rpim | 0.039 | 0.144 |
| Number of reflections | 21456 | 1456 |
| <I/σ(I)> | 14.8 | 4.7 |
| Completeness [%] | 98.2 | 91.6 |
| Redundancy | 3.5 | 3.2 |
| CC(1/2) | 0.998 | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M Bis-Tris, pH 5.5, 25% PEG-3350 |
