7CVS

Crystal structure of the C85A/L194A mutant CLC-ec1 with Fab fragment

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	2017-03-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	232.909, 96.721, 170.731
Unit cell angles	90.00, 131.65, 90.00

Refinement procedure

Resolution	33.960 - 3.010
R-factor	0.2031
Rwork	0.201
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ene
RMSD bond length	0.004
RMSD bond angle	0.707
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]	33.960	3.050
High resolution limit [Å]	3.005	3.005
Rmerge	0.173	1.842
Rpim	0.082	0.840
Number of reflections	54754	2148
<I/σ(I)>	24.1	1.52
Completeness [%]	96.5	87.7
Redundancy	5.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	29% (w/v) PEG400 100 mM Hepes-NaOH (pH 7.0) 200 mM NaCl