3WGU

Crystal structure of a Na+-bound Na+,K+-ATPase preceding the E1P state without oligomycin

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
Collection date	2012-11-29
Detector	RAYONIX MX225HE
Spacegroup name	P 21 21 21
Unit cell lengths	106.383, 211.600, 257.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.993 - 2.800
R-factor	0.2663
Rwork	0.265
R-free	0.29920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.257
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	143103
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.2	283	17.5% PEG 2000 MME, 10% glycerol, 200mM NaCl, 50mM MES-NMDG, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 283K