4HP9

Crystal structure of the N-terminal truncated PAS domain from the hERG potassium channel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-18
Detector	MARCCD
Wavelength(s)	1.00150
Spacegroup name	P 42 3 2
Unit cell lengths	89.528, 89.528, 89.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.764 - 2.120
R-factor	0.1959
Rwork	0.194
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1byw
RMSD bond length	0.008
RMSD bond angle	1.033
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.528	89.528	2.230
High resolution limit [Å]	2.120	6.700	2.120
Rmerge		0.021	0.691
Rmeas		0.023	0.783
Rpim		0.008	0.270
Total number of observations		2417	7979
Number of reflections	7429
<I/σ(I)>	21.7	62	2.9
Completeness [%]	99.5	100	97.1
Redundancy	9.9	8	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	30% PEG-MME2000, 0.1M potasiumm thiocyanate, 1.0% benzamidine-HCl, vapor diffusion, sitting drop, temperature 298K