8GLI

Crystal Structure of Human CD1b in Complex with Mycobacterial C85-GMM

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	PIXEL
Collection date	2020-06-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9540
Spacegroup name	P 21 21 21
Unit cell lengths	57.234, 76.601, 92.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.220 - 2.100
R-factor	0.2089
Rwork	0.206
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d64
RMSD bond length	0.008
RMSD bond angle	0.937
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.660	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	24446	1959
<I/σ(I)>	10
Completeness [%]	99.9	99.7
Redundancy	13.3	13.6
CC(1/2)	0.996	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	26% PEG3350, 0.2 M sodium iodide, 2% ethylene glycol