9Z4R

Crystal structure of MAIT A-F7 TCR-MR1-compound 4 complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-23
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	216.433, 69.897, 142.599
Unit cell angles	90.00, 104.21, 90.00

Refinement procedure

Resolution	39.800 - 2.080
R-factor	0.1816
Rwork	0.181
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.629
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.800	2.100
High resolution limit [Å]	2.080	2.080
Number of reflections	242078	8059
<I/σ(I)>	8.88
Completeness [%]	99.3
Redundancy	2.5
CC(1/2)	0.996	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG3350, BTP