8R98

Crystal structure of the cryorhodopsin CryoR2 at pH 4.6, type B crystals, illuminated 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	2023-03-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	150.108, 84.964, 296.943
Unit cell angles	90.00, 96.87, 90.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.28814
Rwork	0.287
R-free	0.30938
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.070
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]	74.387	3.100
High resolution limit [Å]	2.774	2.774
Rpim	0.085	1.061
Number of reflections	59820	4018
<I/σ(I)>	6.512
Completeness [%]	63.3
Redundancy	6.88
CC(1/2)	0.999	0.383

Crystallization Conditions

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