6UJO

HHAT L75F Neoantigen Peptide KQWLVWLFL Presented by HLA-A206

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	97.541, 37.692, 120.113
Unit cell angles	90.00, 91.48, 90.00

Refinement procedure

Resolution	26.540 - 2.250
R-factor	0.1769
Rwork	0.172
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvh
RMSD bond length	0.004
RMSD bond angle	0.645
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.109	0.445
Rmeas	0.129	0.533
Rpim	0.068	0.289
Number of reflections	19072	1511
<I/σ(I)>	10.3	2.5
Completeness [%]	90.1	87.2
Redundancy	3.3	3
CC(1/2)	0.985	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295.5	10% PEG3350, 0.1 M magnesium chloride, 0.1 M sodium citrate, pH 6.5