7NDU

Gag:02 TCR in complex with HLA-E featuring a non-natural amino acid

This is a non-PDB format compatible entry.

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	2020-12-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	88.980, 88.980, 293.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.597 - 2.900
Rwork	0.242
R-free	0.30150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ndq
RMSD bond length	0.007
RMSD bond angle	1.588
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]	61.597	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.230	2.569
Rpim	0.082	0.933
Number of reflections	27166	1306
<I/σ(I)>	8.6	1
Completeness [%]	99.9	99.2
Redundancy	8.8	8.3
CC(1/2)	0.998	0.458

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	22.3% (w/v) PEG 1500, 89 mM MMT pH 9.0