6TY5

Crystal structure of human TLR8 in complex with Compound 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	164.813, 87.722, 153.464
Unit cell angles	90.00, 120.46, 90.00

Refinement procedure

Resolution	74.640 - 2.793
R-factor	0.2382
Rwork	0.237
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w3g
RMSD bond length	0.004
RMSD bond angle	0.730
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7 (3-OCT-2019))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.640	2.893
High resolution limit [Å]	2.793	2.793
Number of reflections	45252	4683
<I/σ(I)>	14.97
Completeness [%]	96.0
Redundancy	1.9
CC(1/2)	1.000	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20%(w/v) PEG3350, 0.2M Magnesium chloride hexahydrate