4HKS

Calcium release-activated calcium (CRAC) channel ORAI, K163W mutant

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
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 3
Unit cell lengths	118.309, 118.309, 118.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.352
R-factor	0.2786
Rwork	0.279
R-free	0.28250
Structure solution method	MIRAS
RMSD bond length	0.011
RMSD bond angle	1.466
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	PHENIX ((1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.410
High resolution limit [Å]	3.350	3.350
Number of reflections	8157
<I/σ(I)>	35.3	1.3
Completeness [%]	99.7	100
Redundancy	24.3	23.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	26 % PEG 400, 1 M Ammonium Formate, 100 mM MES pH 6.5, 2 mM Calcium chloride. The crystal was soaked in: 50 % PEG 400, 1 M Ammonium Formate, 100 mM MES pH 6.5, 50 mM Calcium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 290K