6UK2

Complex of T cell Receptor with HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	64.357, 85.932, 240.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.298 - 3.139
R-factor	0.231293791938
Rwork	0.229
R-free	0.25994
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1TVH 5jzi & 5C0B
RMSD bond length	0.005
RMSD bond angle	0.845
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.180
High resolution limit [Å]	3.130	3.130
Rmerge	0.279	2.135
Rmeas	0.297	2.290
Rpim	0.101	0.816
Number of reflections	23820	1195
<I/σ(I)>	8.2	2
Completeness [%]	98.5	100
Redundancy	8.2	7.3
CC(1/2)	0.991	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	277	0.1 M sodium citrate, pH 6.3, 8.5% PEG6000, 0.20 M lithium nitrate