3A79

Crystal structure of TLR2-TLR6-Pam2CSK4 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 61 2 2
Unit cell lengths	168.901, 168.901, 231.353
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.110 - 2.900
R-factor	0.215
Rwork	0.208
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2Z81 2z7x 2o6r
RMSD bond length	0.008
RMSD bond angle	1.251
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	43573
<I/σ(I)>	8.27	2.33
Completeness [%]	99.7	98.4
Redundancy	3.4	3.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	2.0M ammonium sulfate, 0.1M MES pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K