4KK6

Structure of CLC-ec1 deltaNC construct in 20mM Bromide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	77
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.919
Spacegroup name	C 1 2 1
Unit cell lengths	231.362, 100.918, 171.718
Unit cell angles	90.00, 132.12, 90.00

Refinement procedure

Resolution	24.882 - 3.183
R-factor	0.2369
Rwork	0.235
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.763
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.260
High resolution limit [Å]	3.180	3.180
Rmerge	0.093	0.612
Number of reflections	95417
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	295	25% PEG400, 100mM Na/K tartrate, 100mM Glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K