8H79

The crystal structure of cyanorhodopsin-II (CyR-II) P7104R from Nodosilinea nodulosa PCC 7104

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-07-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 3 2 1
Unit cell lengths	63.150, 63.150, 117.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.600 - 2.070
R-factor	0.2072
Rwork	0.203
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3w
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.600	49.600	2.200
High resolution limit [Å]	2.070	6.210	2.070
Rmerge	0.227	0.050	1.645
Rmeas	0.236	0.053	1.716
Total number of observations	213269
Number of reflections	17190	720	2824
<I/σ(I)>	10.25	31.97	1.8
Completeness [%]	99.8	99.2	100
Redundancy	12.407	12.032	12.394
CC(1/2)	0.997	0.997	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.8	293	100mM HEPES, 46% PEG 400, 400mM lithium sulfate