3RQ3

Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT) in hexagonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 64 2 2
Unit cell lengths	118.614, 118.614, 98.197
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.820 - 2.700
R-factor	0.2082
Rwork	0.206
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q0h
RMSD bond length	0.019
RMSD bond angle	1.852
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.800	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.085	0.037
Number of reflections	11650
<I/σ(I)>	10
Completeness [%]	100.0	99.3	100
Redundancy	13.7	12.1	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	1.0M Ammonium Sulfate, 0.1M BIS-TRIS pH 5.5, 1% PEG3350, Vapor diffusion, Sitting drop, temperature 298K