5JHD

Crystal structure of LS10-TCR/M1-HLA-A*02 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-08
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	49.710, 101.840, 113.550
Unit cell angles	99.38, 92.60, 103.45

Refinement procedure

Resolution	29.051 - 2.460
R-factor	0.2052
Rwork	0.204
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oga
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	111.609	80.917	2.590
High resolution limit [Å]	2.460	7.780	2.460
Rmerge		0.056	0.810
Number of reflections	72668
<I/σ(I)>	8.1	9.8	0.9
Completeness [%]	94.0	97.6	72
Redundancy	3.9	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	10%(W/V) PEG8000, 100mM Tris-Cl, 200mM Magnesium chloirde