9XP0

Crystal structure of xylose-bound 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	63.851, 89.264, 104.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.480 - 2.510
R-factor	0.219
Rwork	0.213
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9vk4
RMSD bond length	0.002
RMSD bond angle	0.534
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	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	20215	986
<I/σ(I)>	9.77
Completeness [%]	96.3
Redundancy	5.5
CC(1/2)	0.958	0.657

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