2FED

Structure of the E203Q mutant of the Cl-/H+ exchanger CLC-ec1 from E.Coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Wavelength(s)	0.9198
Spacegroup name	C 1 2 1
Unit cell lengths	232.274, 98.226, 170.364
Unit cell angles	90.00, 131.73, 90.00

Refinement procedure

Resolution	49.810 - 3.317
R-factor	0.2498
Rwork	0.248
R-free	0.28662
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ots
RMSD bond length	0.007
RMSD bond angle	1.082
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.810	3.420
High resolution limit [Å]	3.317	3.317
Rmerge	0.096	0.470
Number of reflections	36343
<I/σ(I)>	13.4	2.1
Completeness [%]	88.3	85.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	250 mM NaCl, PEG 400 37%, 0.05 M Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K