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. |