6LW0

Crystal structure of TLR7/Cpd-6 (DSR-139293) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-14
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	98.152, 139.401, 148.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.291 - 2.600
R-factor	0.2081
Rwork	0.205
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gmh
RMSD bond length	0.010
RMSD bond angle	1.387
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.780	2.660
High resolution limit [Å]	2.600	2.600
Number of reflections	63582	4430
<I/σ(I)>	13.8
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.998	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium sulfate, 0.1M tri-sodium citrate pH 5.6, 15% (w/v) PEG 4000