12JR

Designed pentameric proton channel LQLL I6S/I13S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	40.864, 45.093, 47.515
Unit cell angles	117.73, 99.48, 106.02

Refinement procedure

Resolution	39.403 - 2.250
Rwork	0.207
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.240
Data reduction software	DIALS (3.dev.1265-g3515746c1)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.403	1.910
High resolution limit [Å]	1.870	1.870
Number of reflections	18360	955
<I/σ(I)>	5.61	0.2
Completeness [%]	81.9	64.9
Redundancy	3.9
CC(1/2)	0.998	0.117

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1M NaCl, 0.1M HEPES pH 7.5, 12% PEG 4K, 30% PEG 400 Cryoprotectant