6UJQ

HHAT Wild Type Peptide KQWLVWLLL 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	2018-02-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	97.027, 38.282, 116.350
Unit cell angles	90.00, 92.27, 90.00

Refinement procedure

Resolution	44.120 - 2.550
R-factor	0.1977
Rwork	0.194
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvh
RMSD bond length	0.007
RMSD bond angle	0.744
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]	50.000	2.610
High resolution limit [Å]	2.550	2.550
Rmerge	0.134	0.480
Rmeas	0.161	0.589
Rpim	0.088	0.336
Number of reflections	13532	813
<I/σ(I)>	8	1.8
Completeness [%]	95.2	86.6
Redundancy	3.1	2.7
CC(1/2)	0.966	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	295.5	0.1 M Tris-HCl, pH 8.1, 30% PEG4000, 0.20 M ammonium sulfate