9XVW
Crystal structure of mature Bacteroides fragilis toxin 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 31 |
| Unit cell lengths | 47.122, 47.122, 148.045 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.810 - 2.500 |
| R-factor | 0.2212 |
| Rwork | 0.218 |
| R-free | 0.27190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.407 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.020 | 3.110 |
| High resolution limit [Å] | 2.500 | 2.950 |
| Rmerge | 1.064 | |
| Rpim | 0.345 | |
| Number of reflections | 12657 | 1130 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.1 | 10.5 |
| CC(1/2) | 0.970 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Crystals were grown from a crystallization solution containing 0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate pH 6.5 and 30% (w/v) PEG 8000. The protein solution was at a concentration of 20 mg/ml. |
