8WEM
Bacteroides fragilis toxin 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 82.672, 82.672, 280.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.370 - 1.800 |
| R-factor | 0.1764 |
| Rwork | 0.176 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.872 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.370 | 1.866 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 171231 | 8887 |
| <I/σ(I)> | 19.18 | |
| Completeness [%] | 99.9 | |
| Redundancy | 20.6 | |
| CC(1/2) | 0.999 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium malonate pH 5.0, 20% w/v Polyethylene glycol 3350, 32 mg mL-1 |
