5HXH

Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with zero Na+ and 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	2014-11-10
Detector	MARRESEARCH
Wavelength(s)	2.0
Spacegroup name	C 1 2 1
Unit cell lengths	164.177, 46.827, 96.963
Unit cell angles	90.00, 106.20, 90.00

Refinement procedure

Resolution	34.962 - 2.804
R-factor	0.2093
Rwork	0.203
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v5u
RMSD bond length	0.003
RMSD bond angle	0.705
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	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.105	0.044
Rmeas	0.110	0.048
Rpim	0.045	0.018	0.558
Total number of observations	124985
Number of reflections	21489
<I/σ(I)>	7.4
Completeness [%]	99.9	98.6	99.9
Redundancy	7.1	6.9	5.7
CC(1/2)		0.998	0.561

Crystallization Conditions

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