6D64

Crystal Structure of Human CD1b in Complex with POPC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	57.981, 80.032, 92.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.130 - 1.700
R-factor	0.18
Rwork	0.179
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wl1
RMSD bond length	0.008
RMSD bond angle	1.053
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.950	1.730
High resolution limit [Å]	1.700	1.700
Rpim	0.004	0.063
Number of reflections	48206	2488
<I/σ(I)>	17.7	1.9
Completeness [%]	99.9	99.8
Redundancy	14.7	14.8
CC(1/2)	0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, 0.2M Sodium Iodide, Ethylene Glycol