6ZZH
Structure of soluble SmhB crystal form 2 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 | 2020-02-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.931, 49.729, 99.495 |
| Unit cell angles | 90.00, 118.43, 90.00 |
Refinement procedure
| Resolution | 87.498 - 1.860 |
| Rwork | 0.213 |
| R-free | 0.24710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6zz5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.656 |
| Data reduction software | STARANISO |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.510 | 1.880 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.100 | 0.899 |
| Rpim | 0.044 | 0.525 |
| Number of reflections | 50442 | 2519 |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 90.2 | |
| Redundancy | 10.4 | |
| CC(1/2) | 0.800 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 280.15 | 0.22M Magnesium chloride hexahydrate 0.1M Na acetate pH 5.15, 26% (w/v) PEG 6000 |
