6G7H

Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting state structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-06-30
Detector	CS-PAD CXI-1
Wavelength(s)	1.3
Spacegroup name	P 63
Unit cell lengths	62.320, 62.320, 111.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.355 - 1.500
R-factor	0.1167
Rwork	0.115
R-free	0.14280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j7a
RMSD bond length	0.017
RMSD bond angle	1.403
Data reduction software	CrystFEL (0.6.3)
Data scaling software	CrystFEL (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.355	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	39064	3893
<I/σ(I)>	19	2.3
Completeness [%]	100.0	100
Redundancy	2005.6	122.6
CC(1/2)	0.999	0.084

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	294	100 mM Na/K Phosphate buffer pH 5.6 30 % PEG 2000