8R96

Crystal structure of the cryorhodopsin CryoR2 at pH 4.6, type A crystals

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	2023-03-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	85.565, 295.665, 185.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.460
R-factor	0.23952
Rwork	0.239
R-free	0.25445
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.062
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.750	2.719
High resolution limit [Å]	2.457	2.457
Rpim	0.064	0.962
Number of reflections	56393	38364
<I/σ(I)>	8.493
Completeness [%]	65.6
Redundancy	13.44
CC(1/2)	0.996	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.6	293	1.2M Na/K-Pi pH 4.6