6K5D

Crystal structure of the E148N mutant CLC-ec1 in presence of 200 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	231.719, 99.324, 171.465
Unit cell angles	90.00, 131.92, 90.00

Refinement procedure

Resolution	42.923 - 3.203
R-factor	0.217
Rwork	0.215
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ene
RMSD bond length	0.010
RMSD bond angle	1.223
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	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.104	0.648
Number of reflections	92236	4547
<I/σ(I)>	15.4	1.5
Completeness [%]	99.8	99.4
Redundancy	3.4	3.4
CC(1/2)	0.970	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	PEG 400 25% (V/V), 200 mM NaBr 100 mM Glycine