7UDW

Designed pentameric proton channel QQLL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.115832
Spacegroup name	P 1 21 1
Unit cell lengths	48.246, 100.175, 50.498
Unit cell angles	90.00, 110.51, 90.00

Refinement procedure

Resolution	27.280 - 3.000
R-factor	0.2549
Rwork	0.251
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mct
RMSD bond length	0.004
RMSD bond angle	0.583
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]	42.760	3.180
High resolution limit [Å]	3.000	3.000
Number of reflections	8920	1419
<I/σ(I)>	6.6
Completeness [%]	98.8
Redundancy	6.7
CC(1/2)	0.998	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	0.22 M sodium citrate, 0.1 M Tris, pH 8.0