4HKR

Calcium release-activated calcium (CRAC) channel ORAI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10
Spacegroup name	P 21 3
Unit cell lengths	117.910, 117.910, 117.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 3.351
R-factor	0.278
Rwork	0.278
R-free	0.27940
Structure solution method	MOLECULAR REPLACEMENT, SAD
Starting model (for MR)	4hks
RMSD bond length	0.009
RMSD bond angle	1.336
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	8116
<I/σ(I)>	59.7	1.2
Completeness [%]	100.0	100
Redundancy	40.5	40.7

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