2Z65

Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	67.192, 80.987, 107.762
Unit cell angles	90.00, 93.01, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.2403
Rwork	0.238
R-free	0.28874
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z62 2z64
RMSD bond length	0.010
RMSD bond angle	1.393
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.700
Number of reflections	27898
Completeness [%]	90.4
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	296	0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K