6YT4

Crystal structure of the N112A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	129.840, 239.700, 134.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.1879
Rwork	0.186
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yc3
RMSD bond length	0.002
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.850	2.455
High resolution limit [Å]	2.400	2.400
Rmerge	0.216	2.734
Rpim	0.035	0.436
Number of reflections	77168	3858
<I/σ(I)>	19.6	1.8
Completeness [%]	94.0
Redundancy	40.7	40.2
CC(1/2)	0.943	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	1.2 M NaMal pH 8.0