3SPG

Inward rectifier potassium channel Kir2.2 R186A mutant in complex with PIP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	I 4
Unit cell lengths	81.865, 81.865, 183.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.906 - 2.613
R-factor	0.1969
Rwork	0.195
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jyc
RMSD bond length	0.009
RMSD bond angle	1.015
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.059	0.355
Number of reflections	17165
<I/σ(I)>	13.5	1.5
Completeness [%]	88.0	71.1
Redundancy	3.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	15.7% PEG400, 0.5 M potassium chloride, 0.05 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K