5HXE

Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 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	2014-01-01
Detector	MARRESEARCH
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	49.765, 72.854, 96.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.986 - 2.288
R-factor	0.1987
Rwork	0.194
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v5u
RMSD bond length	0.003
RMSD bond angle	1.024
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	2.320
High resolution limit [Å]	2.280	6.190	2.280
Rmerge	0.099	0.045	0.563
Rmeas	0.117	0.054	0.672
Rpim	0.061	0.029	0.358
Total number of observations	53174
Number of reflections	15824
<I/σ(I)>	8.8
Completeness [%]	96.4	93.3	98.6
Redundancy	3.4	3.1	3.3
CC(1/2)		0.997	0.722

Crystallization Conditions

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