4LXR

Structure of the Toll - Spatzle complex, a molecular hub in Drosophila development and innate immunity

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184, 1.8448, 1.8454
Spacegroup name	C 1 2 1
Unit cell lengths	172.025, 78.175, 124.450
Unit cell angles	90.00, 126.30, 90.00

Refinement procedure

Resolution	42.684 - 2.200
R-factor	0.1779
Rwork	0.176
R-free	0.21760
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLOMON
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.200	6.530	2.200
Rmerge	0.051	0.017	0.690
Number of reflections	67514
<I/σ(I)>	15.02	47.27	1.68
Completeness [%]	98.9	95.8	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	10% PEG 3350, 50 mM HEPES-Na salt, pH 7.5, vapor diffusion, hanging drop, temperature 287K
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	10% PEG 3350, 50 mM HEPES-Na salt, pH 7.5, vapor diffusion, hanging drop, temperature 287K