8T5K

Crystal structure of STING CTD in complex with BDW-OH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2023-01-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54180
Spacegroup name	C 1 2 1
Unit cell lengths	90.340, 77.110, 36.160
Unit cell angles	90.00, 97.96, 90.00

Refinement procedure

Resolution	58.410 - 1.950
R-factor	0.1994
Rwork	0.198
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4emt
RMSD bond length	0.007
RMSD bond angle	0.857
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.410	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	17718	1112
<I/σ(I)>	9.8
Completeness [%]	98.7
Redundancy	3.6
CC(1/2)	0.929	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350