9OQY

X-ray crystal structure of Asp/Ala exchanger AspT at outward-facing conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	I 41 2 2
Unit cell lengths	100.688, 100.688, 354.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 3.450
R-factor	0.2542
Rwork	0.252
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.476
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.780
High resolution limit [Å]	3.450	3.450
Rmerge	0.138
Rmeas	0.156
Rpim	0.070
Number of reflections	11832	2825
<I/σ(I)>	9.2
Completeness [%]	94.6	96.6
Redundancy	7.4
CC(1/2)	0.990	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	296	35% PEG 600, 100 mM cacodylic acid (pH 6.9), 200 mM CaCl2, 50 mM TEAP, 0.015% LMNG