6LM0

The crystal structure of cyanorhodopsin (CyR) N2098R from cyanobacteria Calothrix sp. NIES-2098

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	64.490, 107.570, 224.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.615 - 2.650
R-factor	0.2315
Rwork	0.228
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3w
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.615	49.615	2.810
High resolution limit [Å]	2.650	7.950	2.650
Rmerge	0.727	0.165	6.404
Rmeas	0.732	0.166	6.443
Total number of observations	1681366
Number of reflections	23218	953	3684
<I/σ(I)>	10.76	37.42	2
Completeness [%]	100.0	99.2	100
Redundancy	72.416	70.411	75.036
CC(1/2)	0.993	0.999	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1M sodium acetate (pH5.0), 200mM sodiumu chloride, 39% PEG 500