7A0X

Structure of dimeric sodium proton antiporter NhaA, at pH 6.0, crystallized with chimeric Fab antibodies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	113.010, 91.713, 139.997
Unit cell angles	90.00, 109.80, 90.00

Refinement procedure

Resolution	24.900 - 2.370
R-factor	0.206
Rwork	0.205
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7a0w
RMSD bond length	0.002
RMSD bond angle	0.507
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]	24.900	2.680
High resolution limit [Å]	2.370	2.370
Rmerge	0.160	2.750
Number of reflections	69454	3474
<I/σ(I)>	17.8	1.7
Completeness [%]	94.4	64.3
Redundancy	20.4	18.6
CC(1/2)	0.999	0.509

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, 33 % PEG400, soaked at pH 6.0