6K5I

Crystal structure of the E148D/R147A/F317A mutant CLC-ec1 in the presence of 20 mM NaBr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	77.36
Detector technology	PIXEL
Collection date	2019-04-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	C 1 2 1
Unit cell lengths	231.914, 98.826, 170.295
Unit cell angles	90.00, 131.88, 90.00

Refinement procedure

Resolution	42.886 - 3.022
R-factor	0.213
Rwork	0.210
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ene
RMSD bond length	0.009
RMSD bond angle	1.140
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.900	3.070
High resolution limit [Å]	3.020	3.020
Rmerge	0.074	0.569
Number of reflections	109854	5476
<I/σ(I)>	20.2	1.69
Completeness [%]	99.9	100
Redundancy	3.5	3.6
CC(1/2)	0.960	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	PEG 400 23% (v/v), 20 mM Na/K tartrate, 100 mM Tris-SO4