3KDP

Crystal structure of the sodium-potassium pump

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.078
Spacegroup name	P 21 21 21
Unit cell lengths	68.930, 261.500, 334.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.858 - 3.500
R-factor	0.2431
Rwork	0.242
R-free	0.28620
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	1.433
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	3.600
High resolution limit [Å]	3.500	3.500
Rmerge	0.258	0.120
Number of reflections	77431
<I/σ(I)>	13.8	2.56
Completeness [%]	99.8
Redundancy	13.8	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	14% PEG 2000 MME, 0.2M CHOLINE CHLORIDE, 4% GLYCEROL, 4% MPD, 0.04M DTT, 0.1-04% BETA-DDM, pH 7.0, VAPOR DIFFUSION, temperature 292K