7MLM

Crystal structure of mouse TLR4/MD-2 in complex with sulfatides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	C 2 2 21
Unit cell lengths	145.094, 164.293, 89.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.396 - 2.104
R-factor	0.2112
Rwork	0.210
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ijc
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.101	0.042	1.134
Rmeas	0.105	0.044	1.209
Rpim	0.029	0.012	0.398
Total number of observations	697266
Number of reflections	58410	3267	1999
<I/σ(I)>	6.3
Completeness [%]	94.2	98.8	64.8
Redundancy	11.9	13	6.9
CC(1/2)		0.998	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M Tris pH8.0, 0.8 M sodium formate, 8% PEG 8000, 8% PEG 1000