7YTX

Crystal structure of TLR8 in complex with its antagonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	145.640, 97.570, 143.810
Unit cell angles	90.00, 104.95, 90.00

Refinement procedure

Resolution	43.350 - 2.900
R-factor	0.2239
Rwork	0.220
R-free	0.29560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wyx
RMSD bond length	0.009
RMSD bond angle	1.795
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	3.010
High resolution limit [Å]	2.900	2.900
Number of reflections	43346	4550
<I/σ(I)>	13
Completeness [%]	100.0
Redundancy	181.4
CC(1/2)	0.998	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18% PEG 3350, 0.2M calcium chloride, 0.1M Tris-HCl pH 8.0, 20% ethylene glycol