5D3I

Crystal structure of the SSL3-TLR2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-09-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0000
Spacegroup name	P 61
Unit cell lengths	104.198, 104.198, 153.625
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.099 - 3.200
R-factor	0.2327
Rwork	0.231
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TLR2 SSL3
RMSD bond length	0.007
RMSD bond angle	1.199
Data reduction software	XDS (March 2013)
Data scaling software	Aimless (1.7.6)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.100	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.225	1.080
Number of reflections	14687
<I/σ(I)>	5.6	2
Completeness [%]	94.1	96.7
Redundancy	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	PCB, PEG1500