6LM1

The crystal structure of cyanorhodopsin (CyR) N4075R from cyanobacteria Tolypothrix sp. NIES-4075

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	2019-07-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	107.920, 129.666, 127.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.479 - 1.900
R-factor	0.1658
Rwork	0.165
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3w
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.700	49.700	1.480
High resolution limit [Å]	1.450	7.950	1.450
Rmerge	0.124	0.037	0.390
Rmeas	0.130	0.039	54.345
Rpim	0.038	0.011	0.377
Total number of observations	1396532	14429	1438
Number of reflections	129542	1070	765
<I/σ(I)>	10	52
Completeness [%]	82.6	99.6	10
Redundancy	10.8	13.5	1.9
CC(1/2)	0.999	0.999	0.001

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1M sodium-acetate (pH5.0), 450mM Magnesium nitrate, 28% PEG 500