5JDQ

Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 mM Na+ and 10mM Sr2+

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]	100
Detector technology	CCD
Collection date	2013-10-30
Detector	MARRESEARCH
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	49.876, 72.425, 95.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.212 - 2.500
R-factor	0.217
Rwork	0.214
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v5u
RMSD bond length	0.003
RMSD bond angle	0.733
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	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.109	0.037	0.968
Number of reflections	12715
<I/σ(I)>	6.9
Completeness [%]	99.6	95.7	99.7
Redundancy	5.9	5.4	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	PEG400