6V2J

Crystal structure of ClC-ec1 triple mutant (E113Q, E148Q, E203Q)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03321
Spacegroup name	I 2 2 2
Unit cell lengths	80.970, 120.440, 122.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.650 - 2.620
R-factor	0.1964
Rwork	0.193
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ots
RMSD bond length	0.005
RMSD bond angle	1.329
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.650	2.730
High resolution limit [Å]	2.620	2.620
Rmerge	0.173	0.866
Rmeas	0.185	1.000
Rpim	0.086
Number of reflections	17991	1830
<I/σ(I)>	8.4
Completeness [%]	97.5
Redundancy	7.4
CC(1/2)	0.991	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.5	289	100mM Tris, 100mM sodium malonate, 30% PEG 400, 2.5% 2-Methyl-2,4-pentanediol