7NDT

UL40:01 TCR in complex with HLA-E with 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	2020-12-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97951
Spacegroup name	P 1 21 1
Unit cell lengths	117.614, 76.577, 130.341
Unit cell angles	90.00, 107.64, 90.00

Refinement procedure

Resolution	65.270 - 2.999
Rwork	0.221
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2esv
RMSD bond length	0.004
RMSD bond angle	1.286
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.270	3.050
High resolution limit [Å]	2.999	2.999
Rmerge	0.101	2.198
Rpim	0.064	1.425
Number of reflections	44666	2218
<I/σ(I)>	13.4
Completeness [%]	99.9
Redundancy	3.4
CC(1/2)	0.995	0.134

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12% (w/v) PEG 8000, 55 mM MOPS pH 6.5