5V52

Structure of TIGIT bound to nectin-2 (CD112)

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	CCD
Collection date	2015-07-19
Detector	ADSC QUANTUM 315
Wavelength(s)	.9537
Spacegroup name	P 43 21 2
Unit cell lengths	68.500, 68.500, 253.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.650 - 3.100
R-factor	0.2185
Rwork	0.218
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ucr 3r0n
RMSD bond length	0.007
RMSD bond angle	0.930
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.000	3.310
High resolution limit [Å]	3.100	3.270
Rpim	0.096	0.410
Number of reflections	11784
<I/σ(I)>	6.3	1.7
Completeness [%]	99.8	100
Redundancy	6.9	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.3 M Lithium Sulfate 0.1M Tris ph7