6ZZ5
Structure of soluble SmhB 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 I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-09-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.940, 113.950, 130.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.185 - 1.840 |
| Rwork | 0.187 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6grk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.759 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.185 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.139 | 1.214 |
| Rpim | 0.078 | 0.842 |
| Number of reflections | 66582 | 3207 |
| <I/σ(I)> | 9.5 | 1 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.7 | |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 280.15 | 0.17 M ammonium sulphate, 25.5 % PEG4000 |
