5WKG

Crystal Structure of Human CD1b in Complex with PA

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	2015-07-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	57.190, 78.530, 84.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.580 - 2.060
R-factor	0.174
Rwork	0.171
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.190	2.150
High resolution limit [Å]	2.060	2.060
Rpim		0.056
Number of reflections	24235
<I/σ(I)>	7.6	2
Completeness [%]	100.0	100
Redundancy	7.1	7.2
CC(1/2)		0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	27% PET 3350, 0.2M Sodium malonate