8TTY

Crystal structure of monkey TLR7 ectodomain with compound 5

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	2020-08-07
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	98.860, 139.890, 149.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.210 - 2.101
R-factor	0.2064
Rwork	0.205
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.7 (20-MAY-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.210	2.280
High resolution limit [Å]	2.100	2.100
Number of reflections	97119	4856
<I/σ(I)>	10
Completeness [%]	95.8
Redundancy	6.9
CC(1/2)	0.998	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.2 M ammonium citrate, 0.1 M nickel (II) chloride, 20% (w/v) PEG 3,350