5HYA

Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchangerNCX_Mj soaked with 150 mM Na+ and nominal 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	2011-06-11
Detector	MARRESEARCH
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	49.490, 72.879, 96.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.673 - 1.897
R-factor	0.1809
Rwork	0.179
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v5u
RMSD bond length	0.006
RMSD bond angle	0.966
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	1.930
High resolution limit [Å]	1.897	5.160	1.900
Rmerge	0.086	0.039
Total number of observations	261239
Number of reflections	27960
<I/σ(I)>	9.6
Completeness [%]	98.9	97.6	97.8
Redundancy	9.3	8.8	8.9

Crystallization Conditions

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