8SHI

Valpha3S1 Vbeta13S1 HLA C 0602 VRSRRCLRL

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	2020-01-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953728
Spacegroup name	I 2 2 2
Unit cell lengths	106.001, 192.963, 211.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.200 - 2.900
R-factor	0.237350055406
Rwork	0.235
R-free	0.29091
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	3.060
High resolution limit [Å]	2.900	2.900
Rpim	0.083	0.705
Number of reflections	48398	7008
<I/σ(I)>	8.4	1.3
Completeness [%]	100.0	100
Redundancy	6.9
CC(1/2)	0.992	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	20% w/v polyethylene glycol 3350, 0.2M NaSO4.