8H3Y
Bacteroide Fragilis Toxin in complex with nanobody 327
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 | 2020-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.901, 82.984, 139.807 |
| Unit cell angles | 90.00, 109.02, 90.00 |
Refinement procedure
| Resolution | 41.390 - 2.250 |
| R-factor | 0.2049 |
| Rwork | 0.204 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p24 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.965 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.390 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 152840 | 7917 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 98.5 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.984 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium tartrate dibasic, 20% w/v Polyethylene glycol 3350, pH 6.6 |
