6C6J

Structure of glycolipid aGSA[8,P5p] in complex with mouse CD1d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	41.498, 98.153, 55.228
Unit cell angles	90.00, 106.11, 90.00

Refinement procedure

Resolution	49.080 - 1.790
R-factor	0.1925
Rwork	0.191
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.370
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.800	4.440	1.800
Rmerge	0.033	0.015	0.343
Rmeas	0.039	0.018	0.421
Rpim	0.022	0.010	0.240
Total number of observations	114750
Number of reflections	38662	2627	2496
<I/σ(I)>	8.3
Completeness [%]	97.6	97	95.3
Redundancy	3	3	2.6
CC(1/2)		0.999	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	295	20% PEG 3350, 8% Tacsimate