7UDV

Designed pentameric proton channel LLQL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	52.530, 55.360, 82.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.010 - 2.400
R-factor	0.2474
Rwork	0.246
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mct
RMSD bond length	0.003
RMSD bond angle	0.498
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.010	2.465
High resolution limit [Å]	2.400	2.400
Rmerge	0.111	0.826
Number of reflections	8089	405
<I/σ(I)>	7.6
Completeness [%]	91.2
Redundancy	3.3
CC(1/2)	0.999	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	0.2 M magnesium chloride, 0.1 M potassium chloride, 0.03 M sodium citrate, pH 4, 33% v/v PEG400