6ADB

Crystal structure of the E148N mutant CLC-ec1 in 20mM bromide

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]	80
Detector technology	CCD
Collection date	2018-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9190
Spacegroup name	C 1 2 1
Unit cell lengths	231.897, 97.980, 170.792
Unit cell angles	90.00, 132.02, 90.00

Refinement procedure

Resolution	33.961 - 2.692
R-factor	0.239
Rwork	0.237
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ene
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]	49.600	2.800
High resolution limit [Å]	2.692	2.700
Rmerge	0.120	1.130
Number of reflections	153235	15117
<I/σ(I)>	34.1	1.5
Completeness [%]	99.7	98.1
Redundancy	7.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	PEG400 22%(w/v), 100mM tris-SO4, 20mM Na/K tartrate, 20mM NaBr