6OJP

Structure of glycolipid alpha-GSA[8,6P] 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	2015-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	41.891, 105.666, 106.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.610 - 2.170
R-factor	0.2124
Rwork	0.211
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q7y
RMSD bond length	0.003
RMSD bond angle	1.214
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.250
High resolution limit [Å]	2.170	4.670	2.170
Rmerge	0.079	0.043	0.436
Rmeas	0.090	0.048	0.510
Rpim	0.041	0.021	0.257
Number of reflections	23559	2653	2158
<I/σ(I)>	9.5
Completeness [%]	89.9	94.3	84.5
Redundancy	4.1	4.8	3.2
CC(1/2)		0.998	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20% PEG3350, 8% Tacsimate, pH 4.0