7QPJ

Crystal structure of engineered TCR (756) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	54.197, 77.446, 116.682
Unit cell angles	90.00, 102.70, 90.00

Refinement procedure

Resolution	64.113 - 1.540
Rwork	0.202
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pbc
RMSD bond length	0.010
RMSD bond angle	1.631
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.450	77.450	1.570
High resolution limit [Å]	1.540	8.430	1.540
Rmerge	0.075	0.041	0.984
Rmeas	0.105	0.057	1.381
Rpim	0.073	0.040	0.967
Number of reflections	134415	6531	897
<I/σ(I)>	6.4	15.4	1
Completeness [%]	96.9	99.4	95.8
Redundancy	3.2	3	3.1
CC(1/2)	0.995	0.993	0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	0.2M Sodium chloride, 0.1M MES pH 6.0, 20% w/v PEG 6000