6KFQ

Crystal structure of thermophilic rhodopsin from Rubrobacter xylanophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-25
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	29.930, 68.410, 107.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.200 - 1.840
R-factor	0.1942
Rwork	0.193
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y9h
RMSD bond length	0.005
RMSD bond angle	0.735
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.370	42.370	1.950
High resolution limit [Å]	1.840	5.480	1.840
Rmeas	0.072	0.021	0.961
Number of reflections	19923	858	3159
<I/σ(I)>	17.05	53.23	1.87
Completeness [%]	99.6	99.1	98
Redundancy	6.5	5.69	6.36
CC(1/2)	1.000	1.000	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	296	100 mM MES (pH 6.0), 100 mM Li2SO4, 30% PEG 600 (v/v)