4XE5

Crystal structure of the Na,K-ATPase from bovine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-26
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	64.750, 301.070, 242.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.740 - 3.901
R-factor	0.3231
Rwork	0.322
R-free	0.33630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hyt
RMSD bond length	0.006
RMSD bond angle	0.906
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1888)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.700	3.700
Rmerge	0.157
Number of reflections	15157
<I/σ(I)>	9.6
Completeness [%]	59.2
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	PEG 3,350, manganese chloride, 3-(N-morpholino)propansulfonic acid (pH adjusted with N-Methyl-D-glucamin), 2-Mercaptoethanol, Octaethylene glycol monododecyl ether