9IN8

True-atomic resolution crystal structure of the open state of the viral channelrhodopsin OLPVR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-21
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	46.427, 115.029, 53.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.110 - 1.340
R-factor	0.1853
Rwork	0.184
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7aky
RMSD bond length	0.008
RMSD bond angle	0.902
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	1.460
High resolution limit [Å]	1.340	1.340
Rpim	0.024	1.331
Number of reflections	47593	2380
<I/σ(I)>	16.1	0.7
Completeness [%]	93.8	57.8
Redundancy	13.1	12.6
CC(1/2)	0.999	0.175

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	100 mM Tris, 900 mM NaCl, and 24% (w/v) PEG 6000