3M7O

Crystal structure of mouse MD-1 in complex with phosphatidylcholine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2009-12-23
Detector	ADSC QUANTUM 270
Spacegroup name	P 43
Unit cell lengths	90.299, 90.299, 86.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 1.650
R-factor	0.19624
Rwork	0.195
R-free	0.22659
Structure solution method	SIRAS
RMSD bond length	0.011
RMSD bond angle	1.405
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	autoSHARP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.065	0.566
Number of reflections	82260
<I/σ(I)>		2.1
Completeness [%]	98.4	86.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	22% (w/v) PEG-8000, 0.2 M Ammonium sulfate and MES pH 6.5,supplemented with 1/10 volume of 20% (w/v) benzamidine hydrochloride as a crystallization additive, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	22% (w/v) PEG-8000, 0.2 M Ammonium sulfate and MES pH 6.5,supplemented with 1/10 volume of 20% (w/v) benzamidine hydrochloride as a crystallization additive, VAPOR DIFFUSION, SITTING DROP, temperature 293K