8S9H

Crystal structure of monkey TLR7 ectodomain with compound 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	98.180, 138.880, 149.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.320 - 2.437
R-factor	0.2477
Rwork	0.247
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.950
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (21-NOV-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.703	2.681
High resolution limit [Å]	2.437	2.437
Number of reflections	59766	2988
<I/σ(I)>	7.3
Completeness [%]	94.7
Redundancy	5.74
CC(1/2)	0.991	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	0.2 ammonium citrate pH 5.0, 20% (w/v) PEG 3350