7ZAK

Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	54.000, 82.682, 105.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 1.620
R-factor	0.2066
Rwork	0.205
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wex
RMSD bond length	0.010
RMSD bond angle	1.046
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.110	1.710
High resolution limit [Å]	1.620	1.620
Rmeas	0.084	1.971
Number of reflections	116997	18670
<I/σ(I)>	12.43	0.83
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	0.999	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium cacodylate, pH 6.5, 15 % w/v PEG 4000