4KJW

Structure of the CLC-ec1 deltaNC construct in 100mM fluoride and 20mM bromide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	77
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.919
Spacegroup name	C 1 2 1
Unit cell lengths	231.681, 98.892, 172.908
Unit cell angles	90.00, 132.90, 90.00

Refinement procedure

Resolution	39.485 - 3.030
R-factor	0.2318
Rwork	0.230
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ene
RMSD bond length	0.005
RMSD bond angle	0.803
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]	40.000	3.100
High resolution limit [Å]	3.030	3.030
Rmerge	0.101	0.612
Number of reflections	108408
Completeness [%]	100.0

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