8TTZ

Crystal structure of monkey TLR7 ectodomain with compound 20

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	2019-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	97.805, 138.691, 148.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.800 - 3.140
R-factor	0.196
Rwork	0.194
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.414	3.265
High resolution limit [Å]	3.135	3.135
Number of reflections	33566	1669
<I/σ(I)>	7.6
Completeness [%]	95.2
Redundancy	13.1
CC(1/2)	0.979	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 mM sodium citrate, 333 mM ammonium sulfate, 15% (w/v) PEG 3,350, 10 mM chromium(III) chloride hexahydrate