5B2N

Crystal structure of the light-driven chloride ion-pumping rhodopsin, ClP, from Nonlabens marinus

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	CCD
Collection date	2015-05-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	101.580, 49.790, 75.320
Unit cell angles	90.00, 130.40, 90.00

Refinement procedure

Resolution	37.380 - 1.581
R-factor	0.1769
Rwork	0.176
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5awz
RMSD bond length	0.006
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((1.10.1_2155: 000))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.380		1.640
High resolution limit [Å]	1.580	4.710	1.580
Rmerge	0.077	0.033	0.862
Rmeas	0.089	0.038	0.988
Total number of observations	159713
Number of reflections	38990	1530	6203
<I/σ(I)>	11.57	32.37	1.66
Completeness [%]	98.5	97	97.4
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	0.1M Tris-HCl (pH 8.0), 450mM ammonium formate, 40% polyethylene glycol 200