5JDM

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 0.1mM 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	2015-08-01
Detector	MARRESEARCH
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	49.802, 72.267, 94.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.640 - 2.558
R-factor	0.2341
Rwork	0.231
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v5u
RMSD bond length	0.005
RMSD bond angle	0.963
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	2.580
High resolution limit [Å]	2.540	6.890	2.540
Rmerge	0.119	0.045
Number of reflections	11536
<I/σ(I)>	7.5
Completeness [%]	99.9	98.2	100
Redundancy	7.1	6.2	6.8

Crystallization Conditions

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