7A0Y

Structure of dimeric sodium proton antiporter NhaA K300R variant, at pH 8.2, crystallized with chimeric Fab antibodies

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	2015-10-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.968
Spacegroup name	P 1 21 1
Unit cell lengths	112.036, 91.681, 138.287
Unit cell angles	90.00, 110.08, 90.00

Refinement procedure

Resolution	24.740 - 2.450
R-factor	0.2046
Rwork	0.203
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7a0w
RMSD bond length	0.002
RMSD bond angle	0.434
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.740	2.770
High resolution limit [Å]	2.450	2.450
Rmerge	0.186	1.854
Number of reflections	57756	2890
<I/σ(I)>	12.1	1.7
Completeness [%]	94.5	70.2
Redundancy	13.7	14.2
CC(1/2)	0.995	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	292	100 mM Tris-HCl pH 8.2, 50 mM BaCl2, 50 mM CaCl2, 30 % PEG400, 0.1 mM 2-aminoperimidine