4F5D

ERIS/STING in complex with ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-10
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 41
Unit cell lengths	111.850, 111.850, 35.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.772 - 3.000
R-factor	0.2142
Rwork	0.211
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.011
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Number of reflections	8899
Completeness [%]	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.025M MgSO4, 0.05M Tris-HCl pH 8.5, 1.8M AmSO4, VAPOR DIFFUSION, SITTING DROP, temperature 289K