6D0J

Crystal structure of a CLC-type fluoride/proton antiporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	116.972, 126.421, 133.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.350 - 3.000
R-factor	0.2405
Rwork	0.239
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q17 5FXB
RMSD bond length	0.002
RMSD bond angle	0.465
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.350	3.120
High resolution limit [Å]	3.000	3.000
Rmerge	0.073	3.520
Number of reflections	40496	4523
<I/σ(I)>	19.4	1.3
Completeness [%]	100.0	100
Redundancy	34.5	32.8
CC(1/2)	1.000	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	10 mM HEPES, pH 7.0 100 mM ADA, pH 6.0 100 mM NaF 100 mM K Formate 20% PEG 600