8WEN
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 | 2021-11-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.354, 99.579, 114.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.260 - 1.970 |
| R-factor | 0.1811 |
| Rwork | 0.180 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.260 | 2.041 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 135806 | 6653 |
| <I/σ(I)> | 14.76 | |
| Completeness [%] | 99.5 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.999 | 0.626 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 193 | 4% v/v Tacsimate pH 5.0, 12% w/v Polyethylene glycol 3350, 32 mg mL-1. |
