7A27
Structure of soluble SmhA 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 I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-09-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.240, 92.580, 221.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 110.550 - 2.570 |
| Rwork | 0.236 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7a26 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.555 |
| 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] | 110.550 | 2.610 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.190 | 2.129 |
| Rpim | 0.595 | |
| Number of reflections | 53914 | 2644 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13 | |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 280 | 0.2M potassium nitrate, 20% PEG 3350 |
