6D0K

Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant

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	2017-05-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	118.323, 125.987, 134.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.730 - 3.350
R-factor	0.2453
Rwork	0.244
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d0j
RMSD bond length	0.002
RMSD bond angle	0.462
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.730	3.550
High resolution limit [Å]	3.350	3.350
Rmerge	0.042	1.905
Number of reflections	29497	4638
<I/σ(I)>	14.5	1.4
Completeness [%]	99.8	99.2
Redundancy	8.4	8.5
CC(1/2)	1.000	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	295	10 mM HEPES, pH 7.0 100 mM ADA, pH 6.2 100 mM NaF 100 mM K Formate 24% PEG 600