2R9H

Crystal Structure of Q207C Mutant of CLC-ec1 in complex with Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9204
Spacegroup name	C 1 2 1
Unit cell lengths	233.099, 98.358, 171.922
Unit cell angles	90.00, 131.77, 90.00

Refinement procedure

Resolution	50.000 - 3.100
R-factor	0.262
Rwork	0.261
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.987
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.080	0.048	0.480
Number of reflections	52974
<I/σ(I)>	14.4
Completeness [%]	99.2	97.3	96.7
Redundancy	6.7	6.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop	9.5	295	Vapor diffusion: 3 uL of protein complex, 7 mg/ml, in 50 mM NaKTartrate, 5 mM Tris, 12.5 mM NaCl, 18.5% w/v PEG300, 25 mM glycine against 300 uL of 25 mM NaCl, 37% w/v PEG300, 50 mM glycine, pH 9.5, sitting drop, temperature 295K