6EYU

Crystal structure of the inward H(+) pump xenorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-27
Detector	PSI PILATUS 6M
Wavelength(s)	0.969
Spacegroup name	P 21 21 21
Unit cell lengths	64.010, 93.870, 196.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.500
R-factor	0.2119
Rwork	0.210
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xio
RMSD bond length	0.001
RMSD bond angle	0.427
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	12.000	12.000	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.286	0.057	1.859
Rmeas	0.293	0.059	1.914
Number of reflections	41796	542	3062
<I/σ(I)>	9.56	45.46	0.98
Completeness [%]	100.0	98.4	99.9
Redundancy	21.562	19.45	17.759
CC(1/2)	0.999	0.999	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		295	1:1 protein-solution-to-monoundecenoin ratio; protein concentration of 30mg/ml; 2.8 - 3.4 M sodium malonate; pH 8.0.