3WGV

Crystal structure of a Na+-bound Na+,K+-ATPase preceding the E1P state with 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	2012-06-15
Detector	RAYONIX MX225HE
Spacegroup name	P 21 21 21
Unit cell lengths	106.285, 210.183, 256.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.995 - 2.800
R-factor	0.2704
Rwork	0.270
R-free	0.29820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.239
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	2.880
High resolution limit [Å]	2.800	2.800
Number of reflections	139752
Completeness [%]	98.7	99.3

Crystallization Conditions

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