7ZY3

Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	298
Detector technology	CCD
Collection date	2019-01-31
Detector	MPCCD
Wavelength(s)	1.23
Spacegroup name	P 21 21 21
Unit cell lengths	46.200, 48.300, 104.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.149 - 1.800
R-factor	0.1663
Rwork	0.165
R-free	0.18180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1auz
Data scaling software	DIALS (1.10.1)
Phasing software	PHASER (v3.24)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.290	1.720
High resolution limit [Å]	1.700	1.700
Number of reflections	26515	1299
<I/σ(I)>	3.79	0.59
Completeness [%]	100.0	100
Redundancy	101.5	65.2
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.5	293	33% v/v polyethylene glycol 600, 100 mM MES buffer pH 5.5, 150 mM NaCl and 150 mM CaCl2