6C6F

Structure of glycolipid aGSA[26,P5p] in complex with mouse CD1d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	41.627, 98.476, 55.431
Unit cell angles	90.00, 106.21, 90.00

Refinement procedure

Resolution	32.000 - 1.670
R-factor	0.1964
Rwork	0.196
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q7y
RMSD bond length	0.008
RMSD bond angle	1.345
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.230	40.000	1.710
High resolution limit [Å]	1.670	4.120	1.670
Rmerge	0.040	0.027	0.354
Rmeas	0.049	0.033	0.441
Rpim	0.029	0.019	0.260
Number of reflections	47514	3151	3125
<I/σ(I)>	11.2
Completeness [%]	96.2	93.8	96.2
Redundancy	2.6	2.7	2.5
CC(1/2)		0.994	0.904

Crystallization Conditions

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