9MHV

Monkey TLR7 ectodomain with small molecule agonist 9

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	2022-09-29
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	98.265, 139.436, 149.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 2.450
R-factor	0.222
Rwork	0.221
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.940	2.720
High resolution limit [Å]	2.450	2.450
Number of reflections	365769	17165
<I/σ(I)>	7.9	1.6
Completeness [%]	89.2
Redundancy	6.8
CC(1/2)	0.993	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M ammonium citrate dibasic, 20% (w/v) PEG 3,350, 0.3 M NDSB-195