4JTC

Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+

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 315r
Wavelength(s)	1.075
Spacegroup name	P 4 21 2
Unit cell lengths	145.434, 145.434, 285.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.560
Rwork	0.237
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.306
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.600
High resolution limit [Å]	2.560	6.940	2.560
Rmerge	0.132	0.050
Number of reflections	98762
<I/σ(I)>	7.5
Completeness [%]	99.3	99.3	87.6
Redundancy	7.1	6.8	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.9	293	PEG 400, Cesium CHLORIDE, TRIS BUFFER, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K