7S24

Crystal structure of the Na+/H+ antiporter NhaA at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-05
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9667
Spacegroup name	P 1
Unit cell lengths	46.553, 47.335, 56.392
Unit cell angles	78.00, 67.12, 79.24

Refinement procedure

Resolution	34.840 - 2.200
R-factor	0.2109
Rwork	0.209
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4au5
RMSD bond length	0.004
RMSD bond angle	0.628
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.840	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	20042	2006
<I/σ(I)>	7.22
Completeness [%]	91.6	92.91
Redundancy	3.8
CC(1/2)	0.996	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M MES pH 6.5, 0.1 M NaCl, 0.1 M CaCl2, 24-45 % (v/v) PEG 400