3A3Y

Crystal structure of the sodium-potassium pump with bound potassium and ouabain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	222.884, 50.720, 163.342
Unit cell angles	90.00, 104.63, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.24855
Rwork	0.247
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.210
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.045	0.388
Number of reflections	44358
<I/σ(I)>	30.3	3.2
Completeness [%]	99.9	100
Redundancy	10.4	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1