4BV4

Structure and allostery in Toll-Spatzle recognition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Collection date	2012-09-22
Spacegroup name	C 1 2 1
Unit cell lengths	198.310, 57.110, 70.500
Unit cell angles	90.00, 97.76, 90.00

Refinement procedure

Resolution	49.120 - 2.350
R-factor	0.1967
Rwork	0.195
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4arn 3e07
RMSD bond length	0.009
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.120	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.080	0.780
Number of reflections	24588
<I/σ(I)>	11.5	2.6
Completeness [%]	74.8	32.9
Redundancy	3.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		15% PEG 8000, 0.1M TRIS PH 7.5, 0.1 M MGCL2