7ZN3

Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the L state at pH 8.2 in the presence of sodium at 100K

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	2021-12-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	68.390, 109.490, 119.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 1.600
R-factor	0.2041
Rwork	0.203
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xio
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.763	1.739
High resolution limit [Å]	1.600	1.600
Rmerge	0.076	2.835
Number of reflections	78671	3935
<I/σ(I)>	15.9	1.1
Completeness [%]	92.8
Redundancy	13.7
CC(1/2)	0.999	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.8 M Na/K-Pi pH 8.2