7A0W

Structure of dimeric sodium proton antiporter NhaA, at pH 8.5, crystallized with chimeric Fab antibodies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	112.788, 92.163, 139.105
Unit cell angles	90.00, 109.89, 90.00

Refinement procedure

Resolution	24.860 - 2.040
R-factor	0.1991
Rwork	0.198
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zcd 2yk1
RMSD bond length	0.004
RMSD bond angle	0.655
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]	24.860	2.340
High resolution limit [Å]	2.040	2.040
Rmerge	0.087	1.680
Number of reflections	94893	4739
<I/σ(I)>	16	1.8
Completeness [%]	94.1	67.6
Redundancy	13.1	11.1
CC(1/2)	0.999	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	100 mM Tris pH 8.5, 100 mM MgCl2, 100 mM NaCl, 32 % PEG400