9SOG

Atomic resolution structure of viral channelrhodopsin OLPVR1 in a calcium-blocked state

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	2022-10-17
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9755
Spacegroup name	P 21 21 2
Unit cell lengths	46.182, 115.650, 53.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.270 - 1.520
R-factor	0.1967
Rwork	0.195
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.882
Data reduction software	XDS (20220110)
Data scaling software	STARANISO (2.3.89)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.270	39.270	1.620
High resolution limit [Å]	1.520	4.610	1.520
Rpim	0.023	0.009	1.207
Number of reflections	34203	1710	1710
<I/σ(I)>	14.7	64	0.6
Completeness [%]	93.2	96.9	63
Redundancy	4.3	4.2	3.9
CC(1/2)	1.000	0.999	0.241

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 Soaking: 100 mM Tris, 900 mM NaCl, 24% (w/v) PEG 6000, and 10 mM CaCl2