6CUG

Crystal structure of BC8B TCR-CD1b-PC complex

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	2017-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	73.300, 65.700, 101.900
Unit cell angles	90.00, 100.70, 90.00

Refinement procedure

Resolution	54.930 - 2.400
R-factor	0.189
Rwork	0.187
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wl1 4qrp 4g8f
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.700	2.530
High resolution limit [Å]	2.400	2.400
Rpim	0.018	0.046
Number of reflections	78785	5464
<I/σ(I)>	5.2
Completeness [%]	100.0	100
Redundancy	14.3	14.4
CC(1/2)	0.903	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	PEG 3350, Tris-HCl