7ZFR

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

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	2021-11-05
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	83.985, 83.985, 348.589
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.390 - 2.900
R-factor	0.2346
Rwork	0.231
R-free	0.27160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zak
RMSD bond length	0.002
RMSD bond angle	0.565
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]	45.390	3.070
High resolution limit [Å]	2.900	2.900
Rmeas	0.192	1.095
Number of reflections	29077	2666
<I/σ(I)>	11.55	1.82
Completeness [%]	97.9
Redundancy	10.6
CC(1/2)	0.996	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Potassium thiocyanate, 0.1 M Sodium acetate, pH 5.5, 8 % w/v PEG 20,000, 8 % v/v PEG 500 MME