7PBC

Crystal structure of engineered TCR (796) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	54.330, 77.500, 115.120
Unit cell angles	90.00, 102.88, 90.00

Refinement procedure

Resolution	63.853 - 2.040
Rwork	0.186
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qeu 1i4f
RMSD bond length	0.007
RMSD bond angle	1.491
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.500	77.500	2.090
High resolution limit [Å]	2.040	9.120	2.040
Rmerge	0.105	0.045	0.736
Rmeas	0.145	0.062	1.005
Rpim	0.100	0.043	0.681
Number of reflections	59081	709	4351
<I/σ(I)>	5.7
Completeness [%]	99.4
Redundancy	2.9	2.9	2.8
CC(1/2)	0.988	0.994	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Sodium bromide, 0.1M Bis-Tris propane pH 8.5, 20% w/v PEG 3350