5C9J

Human CD1c with ligands in A' and F' channel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	97.130, 97.130, 115.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.340 - 2.400
R-factor	0.15823
Rwork	0.155
R-free	0.20006
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ov6
RMSD bond length	0.028
RMSD bond angle	2.372
Data reduction software	XDS (03.11.14)
Data scaling software	XSCALE (03.11.14)
Phasing software	PHASER (1.8.4)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.340		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.054	0.019	0.599
Rmeas	0.066	0.023	0.756
Total number of observations	141258
Number of reflections	46442	497	2946
<I/σ(I)>	15.39	40.52	1.78
Completeness [%]	97.8	94.8	84.9
Redundancy	3.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2M Magnesium chloride, 0.1M Tris pH 8, 10% PEG 8000, 1:1 protein to precipitant ratio.