7PDW

Crystal structure of parent TCR (728) 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
Unit cell lengths	54.081, 95.834, 106.261
Unit cell angles	109.17, 96.51, 99.70

Refinement procedure

Resolution	81.936 - 1.820
R-factor	0.2028
Rwork	0.201
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pbc
RMSD bond length	0.008
RMSD bond angle	1.471
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.710	98.710	1.850
High resolution limit [Å]	1.820	9.970	1.820
Rmerge	0.098	0.035	0.672
Rmeas	0.139	0.049	0.950
Rpim	0.098	0.035	0.672
Number of reflections	158062	1041	7634
<I/σ(I)>	4.7	11.1	0.7
Completeness [%]	90.2	97.3
Redundancy	1.5	1.5	1.4
CC(1/2)	0.986	0.932	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.02M Sodium/potassium phosphate, 0.1M Bis-Tris propane pH 6.5, 20% w/v PEG 3350