7UDZ

Designed pentameric proton channel LQLL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03318
Spacegroup name	C 1 2 1
Unit cell lengths	86.772, 46.658, 66.320
Unit cell angles	90.00, 108.95, 90.00

Refinement procedure

Resolution	36.870 - 2.480
R-factor	0.2488
Rwork	0.248
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mct
RMSD bond length	0.002
RMSD bond angle	0.414
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.030	2.610
High resolution limit [Å]	2.470	2.470
Rmerge		0.708
Number of reflections	8896	1248
<I/σ(I)>	8.1
Completeness [%]	98.1
Redundancy	3.2
CC(1/2)	0.991	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	0.1 M calcium chloride, 0.1 M MES, 29% v/v PEG400