7UMG

Crystal structure of human CD8aa-MR1-Ac-6-FP complex

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	2021-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	I 2 3
Unit cell lengths	166.495, 166.495, 166.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.240 - 2.400
R-factor	0.1873
Rwork	0.185
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6puc
RMSD bond length	0.003
RMSD bond angle	0.660
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]	48.070	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.058
Number of reflections	144365	14865
<I/σ(I)>	17.41
Completeness [%]	99.8
Redundancy	4.8
CC(1/2)	0.999	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	Na K Phosphate, PEG 1K and NaCl