6BXA

Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) 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	2015-10-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 21 21 2
Unit cell lengths	98.694, 112.102, 148.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.452 - 2.298
R-factor	0.187
Rwork	0.185
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v47
RMSD bond length	0.006
RMSD bond angle	0.930
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.298	2.298
Rmerge	0.090
Rpim	0.040	0.530
Number of reflections	72974	3213
<I/σ(I)>	20.2	1.3
Completeness [%]	99.2	88
Redundancy	5.7	2.5
CC(1/2)	0.890	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	16% PEG 8K, 180 mM ammonium citrate, 90 mM MES pH 6.0, 10 mM urea