7MXH

CD1c with antigen analogue 3

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	2020-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	55.569, 72.734, 98.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.160 - 2.110
R-factor	0.21
Rwork	0.208
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mx4
RMSD bond length	0.009
RMSD bond angle	1.168
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.160	2.185
High resolution limit [Å]	2.110	2.110
Rmerge	0.045	0.438
Rmeas	0.064	0.619
Rpim	0.045	0.438
Number of reflections	23737	2342
<I/σ(I)>	8.29	1.69
Completeness [%]	99.9	99.91
Redundancy	2	2
CC(1/2)	0.995	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	293	100 mM CHES, 1.05 M sodium citrate, 25 mM triglycine