5TEZ

TCR F50 recgonizing M1-HLA-A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	80
Detector technology	CCD
Collection date	2016-03-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 1 21 1
Unit cell lengths	66.266, 71.053, 100.693
Unit cell angles	90.00, 96.22, 90.00

Refinement procedure

Resolution	37.924 - 1.700
R-factor	0.191
Rwork	0.190
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oga
RMSD bond length	0.042
RMSD bond angle	1.637
Data reduction software	HKL-2000
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.924	37.920	1.550
High resolution limit [Å]	1.520	8.330	1.520
Rmerge	0.351	0.055	8.812
Number of reflections	136200
<I/σ(I)>	5.6
Completeness [%]	95.6	99	44.3
Redundancy	6.6	7.1	3
CC(1/2)	0.990	0.996	0.069

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	PEG 3350, 0.1 M imidazole (pH 8.0), and 0.2 M sodium malonate