6PTE

Crystal Structure of ILNAMITKI peptide bound to HLA-A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	58.429, 84.106, 85.363
Unit cell angles	90.01, 90.06, 90.02

Refinement procedure

Resolution	41.822 - 1.901
R-factor	0.162
Rwork	0.159
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvh
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.822	1.970
High resolution limit [Å]	1.901	1.901
Rmerge	0.096	0.290
Rmeas	0.114	0.350
Rpim	0.062	0.193
Number of reflections	123624	11774
<I/σ(I)>	10.8	4.33
Completeness [%]	96.7	92.6
Redundancy	3.2	2.9
CC(1/2)	0.993	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	20% v/v PEG3350, 100 mM HEPES, pH 7.5