4HQA

Crystal structure of PAS domain from the human ERG (hERG) potassium channel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977
Spacegroup name	P 65 2 2
Unit cell lengths	56.750, 56.750, 134.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.169 - 1.960
R-factor	0.2023
Rwork	0.201
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1byw
RMSD bond length	0.004
RMSD bond angle	0.797
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.138	33.685	2.060
High resolution limit [Å]	1.960	6.190	1.960
Rmerge		0.045	0.724
Rmeas		0.047	0.747
Rpim		0.013	0.181
Total number of observations		5115	23033
Number of reflections	9923
<I/σ(I)>	21.1	61.5	4.2
Completeness [%]	100.0	99.3	100
Redundancy	16.7	13	16.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1.0M sodium/potassium tartrate, 0.1M Hepes, pH 7.0, vapor diffusion, sitting drop, temperature 298K