8Q2O

Structure of alginate transporter AlgE from P. aeruginosa PAO1 by using Se-MAG for the the lipid cubic phase crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97794
Spacegroup name	C 1 2 1
Unit cell lengths	57.090, 74.490, 115.780
Unit cell angles	90.00, 102.50, 90.00

Refinement procedure

Resolution	44.630 - 1.700
R-factor	0.1648
Rwork	0.163
R-free	0.19920
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.661
Data reduction software	XDS (VERSION Feb 5, 2021 BUILT=20210323)
Data scaling software	XSCALE (VERSION Feb 5, 2021 BUILT=20210323)
Phasing software	SHELXCD (Version 2016/1)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.630	1.760
High resolution limit [Å]	1.700	1.700
Rmeas	0.210	1.640
Number of reflections	102477	7616
<I/σ(I)>	17.63	1.61
Completeness [%]	100.0	100
Redundancy	45.88	9.73
CC(1/2)	0.990	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	293	41 %(v/v) PEG400, 100 mM LiSO4, and 0.1 M sodium citrate at pH 5.6