6G7J

Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs 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	18.517 - 1.900
R-factor	0.2087
Rwork	0.205
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j7a
RMSD bond length	0.012
RMSD bond angle	1.180
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]	18.517	1.990
High resolution limit [Å]	1.900	1.900
Number of reflections	18335
<I/σ(I)>	8.95
Completeness [%]	95.2
Redundancy	435.3

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