7A0G
Structure of the SmhB pore of the tripartite alpha-pore forming toxin, Smh, from Serratia marcescens.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-09-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 224.481, 118.062, 209.532 |
| Unit cell angles | 90.00, 109.44, 90.00 |
Refinement procedure
| Resolution | 66.769 - 6.979 |
| Rwork | 0.334 |
| R-free | 0.33510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6grj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.496 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.769 | 7.100 |
| High resolution limit [Å] | 6.979 | 6.979 |
| Rmerge | 2.295 | 3.384 |
| Rpim | 1.403 | 2.356 |
| Number of reflections | 8304 | 350 |
| <I/σ(I)> | 1.3 | |
| Completeness [%] | 98.8 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.700 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 280.15 | 0.2M Calcium chloride, 40% MPD |
