7A26
Structure of soluble SmhA crystal form 1 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] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-21 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 42 |
Unit cell lengths | 151.364, 151.364, 133.456 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.692 - 2.980 |
Rwork | 0.220 |
R-free | 0.25390 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.627 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | CRANK |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.692 | 3.030 |
High resolution limit [Å] | 2.980 | 2.980 |
Rmerge | 0.406 | 3.048 |
Rpim | 0.078 | 0.575 |
Number of reflections | 61518 | 3065 |
<I/σ(I)> | 7.2 | |
Completeness [%] | 100.0 | |
Redundancy | 28.1 | |
CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 280 | 0.1 M MES pH 6.5, 0.16 M CaCl2 and 20 % PEG 6000 |