5HXR

Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 10mM Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	80
Detector technology	CCD
Collection date	2013-01-01
Detector	MARRESEARCH
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	49.700, 72.522, 96.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.302 - 2.463
R-factor	0.2244
Rwork	0.221
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v5u
RMSD bond length	0.002
RMSD bond angle	0.630
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.118	0.051
Rmeas	0.126	0.056
Rpim	0.055	0.021	0.780
Total number of observations	101923
Number of reflections	13042
<I/σ(I)>	6.9
Completeness [%]	99.7	98.4	100
Redundancy	7.8	7	7.8
CC(1/2)		0.998	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		298	PEG 400