7U21

Human Class I MHC HLA-A2 in complex with AVGSYVYSV peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	58.481, 84.647, 84.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.050 - 1.900
R-factor	0.1948
Rwork	0.193
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pwl
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	DIALS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.050	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.046	0.213
Rmeas	0.064	0.302
Rpim	0.046	0.213
Number of reflections	61286	5495
<I/σ(I)>	8.2	1.49
Completeness [%]	93.4	85.5
Redundancy	2
CC(1/2)	0.997	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	15% PEG 3350, 0.1M MES pH 6.5