6M86

Crystal Structure of Inward Rectifier Kir2.2 Force Open Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	I 4
Unit cell lengths	82.852, 82.852, 189.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.600
R-factor	0.2365
Rwork	0.234
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3spc
RMSD bond length	0.004
RMSD bond angle	0.851
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.730
High resolution limit [Å]	3.600	7.750	3.600
Rmerge	0.079	0.072	0.742
Rmeas	0.086	0.079	0.808
Rpim	0.035	0.032	0.317
Number of reflections	7419	762	727
<I/σ(I)>	11.1
Completeness [%]	99.9	99.9	100
Redundancy	6.7	6.8	6.4
CC(1/2)		0.995	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	293.15	27.4% PEG400 180 mM triSodium Citrate 100 mM TrisHCl