7S8I

PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, MONOCLINIC CRYSTAL FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	39.679, 77.228, 67.680
Unit cell angles	90.00, 104.38, 90.00

Refinement procedure

Resolution	33.710 - 1.660
R-factor	0.1689
Rwork	0.167
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oga
RMSD bond length	0.011
RMSD bond angle	1.421
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.710	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.052	0.650
Number of reflections	46274	2098
<I/σ(I)>	12.1	2.7
Completeness [%]	98.8	89.2
Redundancy	3.1	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	20-28%PEG1000, 0.1M HEPES-NAOH, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K