7ZUC

Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 32 1 2
Unit cell lengths	85.259, 85.259, 213.486
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.160 - 1.890
R-factor	0.2133
Rwork	0.212
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bnr
RMSD bond length	0.012
RMSD bond angle	1.408
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.180	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.252	3.949
Number of reflections	71594	3540
<I/σ(I)>	6.5
Completeness [%]	100.0
Redundancy	20.9
CC(1/2)	0.998	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3,350, 0.2 M Potassium Thiocyanate, 0.1 M BIS-TRIS Propane pH 7.5