9MHX

Human TLR8 ectodomain with small molecule agonist 7

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-03
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	86.238, 86.238, 217.487
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.920 - 2.130
R-factor	0.221
Rwork	0.220
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (20-APR-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.690	2.270
High resolution limit [Å]	2.130	2.130
Number of reflections	445721	23235
<I/σ(I)>	10.8	1.5
Completeness [%]	94.4
Redundancy	5.3
CC(1/2)	0.998	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M magnesium formate, 20% (w/v) PEG 3,350, 0.1 M magnesium chloride tetrathydrate