6BXC

Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 9 (VLR9) bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 1
Unit cell lengths	69.380, 69.413, 84.561
Unit cell angles	112.14, 104.12, 100.81

Refinement procedure

Resolution	45.272 - 2.500
R-factor	0.2315
Rwork	0.230
R-free	0.27030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v47
RMSD bond length	0.005
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.300	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.100	0.520
Rpim	0.050	0.330
Number of reflections	42427	1062
<I/σ(I)>	14.6	1.4
Completeness [%]	88.9	46
Redundancy	1.6	1.2
CC(1/2)	0.920	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	15% Peg3350, 170 mM MgNO3, 80 mM MES pH 6.0, 15% ethylene glycol