4MQX

CLC-ec1 Fab Complex Cysless A399C-A432C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	200
Detector technology	PIXEL
Collection date	2012-11-11
Detector	PSI PILATUS 6M
Wavelength(s)	1.5
Spacegroup name	C 1 2 1
Unit cell lengths	233.506, 94.516, 170.601
Unit cell angles	90.00, 131.75, 90.00

Refinement procedure

Resolution	43.556 - 3.516
R-factor	0.225
Rwork	0.223
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.619
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.500
Number of reflections	34345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	26% PEG 400, 0.1M sodium chloride, 0.05M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K