28IL

P1-15 T-cell Receptor bound to HLA A*2402-NF9 pMHC complex

Replaces:  8RJ5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	200.410, 200.410, 156.336
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.560 - 3.100
R-factor	0.19158
Rwork	0.189
R-free	0.23066
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.504
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.630	3.180
High resolution limit [Å]	3.100	3.100
Rmerge	0.293	3.851
Rmeas	0.300	3.941
Rpim	0.065	0.833
Total number of observations		101844
Number of reflections	65958	4631
<I/σ(I)>	8.8	0.9
Completeness [%]	100.0
Redundancy	21	22
CC(1/2)	0.997	0.407

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	di-Sodium malonate, 0.1M HEPES pH7, 0.1M Poly(acrylic acid sodium salt) 2,100, 30% w/v