7T6I

Crystal structure of HLA-DP1 in complex with pp65 peptide in reverse orientation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	112.360, 62.364, 72.796
Unit cell angles	90.00, 91.52, 90.00

Refinement procedure

Resolution	43.910 - 2.300
R-factor	0.183
Rwork	0.181
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wex
RMSD bond length	0.004
RMSD bond angle	0.569
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.040	2.380
High resolution limit [Å]	2.300	2.300
Rmerge		0.255
Number of reflections	22454	2175
<I/σ(I)>	12.7	5.9
Completeness [%]	99.7
Redundancy	5.8
CC(1/2)	0.997	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.1 M Sodium Cacodylate pH 6.5 25% w/v PEG 4000