1OTS

Structure of the Escherichia coli ClC Chloride channel and Fab Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93
Spacegroup name	C 1 2 1
Unit cell lengths	229.936, 93.870, 168.536
Unit cell angles	90.00, 131.72, 90.00

Refinement procedure

Resolution	25.000 * - 2.500 *
R-factor	0.264
Rwork	0.264
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FAB fragment 1K4C
RMSD bond length	0.010 *
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.048	0.569
Number of reflections	88082
<I/σ(I)>		2.3
Completeness [%]	96.6	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	20 *	PEG 300, sodium chloride, glycine, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG300	28-31 (%)
2	1	reservoir	glycine	50 (mM)	pH9.5
3	1	reservoir		100 (mM)