9QG8

Crystal structure of the great reed warbler MHC class I in complex with an 8-mer peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	C 1 2 1
Unit cell lengths	205.947, 49.038, 39.380
Unit cell angles	90.00, 94.69, 90.00

Refinement procedure

Resolution	47.700 - 2.150
R-factor	0.2089
Rwork	0.206
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.545
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.059	0.733
Rmeas	0.071	0.872
Rpim	0.038	0.468
Total number of observations	72011	6284
Number of reflections	21449	1838
<I/σ(I)>	10.7	1.7
Completeness [%]	99.6
Redundancy	3.4	3.4
CC(1/2)	0.998	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	28 % PEG4000, 0.1 M MgCl2 and 0.1 M Tris/HCl pH 8.5 with seeding