6Y7Q

Crystal Structure of the N-terminal PAS domain from the hERG3 Potassium Channel

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	32.784, 32.784, 200.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.221 - 1.390
Rwork	0.184
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hqa
RMSD bond length	0.020
RMSD bond angle	2.234
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.900	66.900	1.430
High resolution limit [Å]	1.390	6.220	1.390
Rmerge	0.061
Number of reflections	23496	371	1709
<I/σ(I)>	13.9
Completeness [%]	100.0
Redundancy	11.9656537283
CC(1/2)		0.999	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	hERG3 PAS domain (15 mg/ml, in 50 mM NaCl, 1 mM TCEP in a 1:1 ratio with reservoir solution (0.1 M NaCl, 0.1 M HEPES pH=7.5, 1.6 M (NH4)2SO4