6Y99

hSTING mutant R232K in complex with 2',3'-cGAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-24
Detector	PSI PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 41 21 2
Unit cell lengths	111.703, 111.703, 35.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.493 - 2.984
R-factor	0.2379
Rwork	0.235
R-free	0.28450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ksy
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.493	3.091
High resolution limit [Å]	2.984	2.984
Rmerge	0.233	2.156
Rmeas	0.243	2.260
Rpim	0.069	0.659
Number of reflections	4861	464
<I/σ(I)>	8.57	1.1
Completeness [%]	98.7
Redundancy	12.4
CC(1/2)	0.988	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M tri-Sodium Citrate dihydrate 20% (w/v) PEG 3350