6TK7

Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in acidic conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESA
Synchrotron site	SwissFEL ARAMIS
Beamline	ESA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-02-25
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	41.540, 84.480, 235.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.357 - 1.600
R-factor	0.1798
Rwork	0.177
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x3c
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.8.0)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.400	2.300
High resolution limit [Å]	1.600	1.600
Number of reflections	28904	10097
<I/σ(I)>	8.3	2.2
Completeness [%]	52.3	27.7
Redundancy	505
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	200 mM Sodium Acetate pH 4.4, 150 mM MgCl2, 35% PEG 200