6D42

Crystal structure of the KCa3.1 C-terminal four-helix bundle (with copper)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 4 21 2
Unit cell lengths	37.590, 37.590, 116.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.059 - 1.750
R-factor	0.25945919616
Rwork	0.252
R-free	0.32258
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.984
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	0.723
Rmeas		0.845
Rpim	0.032	0.427
Number of reflections	16141	788
<I/σ(I)>	34.8	2
Completeness [%]	99.1	95.4
Redundancy	4.8	3.3
CC(1/2)		0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.1 M imidazole, pH 6.5 1.0 M sodium acetate