8V50

Crystal structure of a HLA-B*35:01-NP6 with D1 TCR

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	2018-01-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	78.580, 192.162, 252.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.589 - 2.650
R-factor	0.220052221113
Rwork	0.218
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.533
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.600	2.750
High resolution limit [Å]	2.650	2.650
Rmerge	0.050	0.270
Number of reflections	112003	11071
<I/σ(I)>	10
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.997	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG