8E7F
Crystal structure of the autotransporter Ssp from Serratia marcescens.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537, 0.9642 |
Spacegroup name | P 1 |
Unit cell lengths | 47.482, 55.356, 61.883 |
Unit cell angles | 91.52, 93.04, 102.76 |
Refinement procedure
Resolution | 39.890 - 2.000 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.20150 |
Structure solution method | SIRAS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.460 |
Data scaling software | XDS (2022) |
Phasing software | Auto-Rickshaw (2022) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.200 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.078 | 0.597 |
Rmeas | 0.093 | 0.724 |
Rpim | 0.050 | 0.405 |
Number of reflections | 39914 | 5596 |
<I/σ(I)> | 8.3 | 2 |
Completeness [%] | 97.1 | 93.3 |
Redundancy | 3.3 | 3.1 |
CC(1/2) | 0.997 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 0.2 M potassium iodide, 20% (w/v) PEG 3350, 0.1 M HEPES |