5HWY

Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and zero 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)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	46.213, 71.966, 95.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.022 - 2.098
R-factor	0.1908
Rwork	0.188
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v5u
RMSD bond length	0.006
RMSD bond angle	0.915
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.098	5.700	2.100
Rmerge	0.093	0.048	0.698
Rmeas	0.101	0.052	0.765
Rpim	0.040	0.021	0.309
Total number of observations	117734
Number of reflections	19305
<I/σ(I)>	10.1
Completeness [%]	99.9	98.6	100
Redundancy	6.1	5.7	6
CC(1/2)		0.997	0.819

Crystallization Conditions

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