8JBK

Crystal structure of Na+,K+-ATPase in the E1.3Na+ state

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	PIXEL
Collection date	2019-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	193.740, 74.490, 162.560
Unit cell angles	90.00, 115.72, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.2306
Rwork	0.229
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wgu
RMSD bond length	0.004
RMSD bond angle	0.748
Data reduction software	HKL-2000
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.108	0.399
Number of reflections	67058	472
<I/σ(I)>	11.04	1.28
Completeness [%]	64.8	5.1
Redundancy	3.5
CC(1/2)	0.922	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	283	285 mM NaCl, 25 mM MgCl2, 15.4% (w/v) PEG2000MME, 7% (w/v) glycerol, 5 mM GSH, 0.1 mM DTT and 1 mg/ml butylhydroxytoluen, 100 mM MES