8XKC

The structure of HLA-A/Pep16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	71.554, 81.010, 81.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.280 - 2.180
R-factor	0.2182
Rwork	0.215
R-free	0.29080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nqv
RMSD bond length	0.008
RMSD bond angle	0.942
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.490	6.880
High resolution limit [Å]	2.060	2.060
Rmerge	0.176
Rpim		0.056
Number of reflections	25558	24245
<I/σ(I)>	6.9
Completeness [%]	99.9
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1M Imidazole, 20%w/v PEG 6000