8RJ5

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

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	200.439, 200.439, 156.272
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.620 - 3.020
R-factor	0.22195
Rwork	0.220
R-free	0.25981
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.408
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.630	3.110
High resolution limit [Å]	3.020	3.050
Rmerge	0.302	4.765
Rmeas	0.309	4.876
Rpim	0.067	1.030
Number of reflections	71335	3413
<I/σ(I)>	7.1
Completeness [%]	100.0
Redundancy	21.1
CC(1/2)	0.997	0.274

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