9XP1

Crystal structure of native TcrXyn10A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	63.618, 87.745, 101.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.980 - 2.100
R-factor	0.1721
Rwork	0.169
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9vk4
RMSD bond length	0.007
RMSD bond angle	0.818
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	32255	1495
<I/σ(I)>	7.84
Completeness [%]	95.2
Redundancy	4.2
CC(1/2)	0.973	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M HEPES (pH 7.5), 0.2 M NaCl, and 25% (w/v) polyethylene glycol 3350