8F5A

Crystal Structure of KS1 TCR in complex with HLA-B*57:01-TW10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.956
Spacegroup name	P 1 21 1
Unit cell lengths	70.016, 55.804, 122.714
Unit cell angles	90.00, 91.22, 90.00

Refinement procedure

Resolution	46.630 - 1.950
R-factor	0.2038
Rwork	0.202
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rtr
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.630	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.089	1.169
Rmeas	0.097	1.262
Rpim	0.037	0.472
Total number of observations	480504	31410
Number of reflections	69447	4450
<I/σ(I)>	13.5	1.7
Completeness [%]	100.0
Redundancy	6.9	7.1
CC(1/2)	0.999	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	8 % tacsimate, 20 % PEG3350