4X6E

CD1a binary complex with lysophosphatidylcholine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	42.299, 90.663, 108.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.389 - 2.100
R-factor	0.1908
Rwork	0.189
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1onq
RMSD bond length	0.008
RMSD bond angle	1.150
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	41.800
High resolution limit [Å]	2.090
Number of reflections	24843
<I/σ(I)>	6.3
Completeness [%]	98.5
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20 mM DL-malic acid, 40 mM MES, 40 mM tris, PEG 1500