6R0E

Structure of F11TCR in complex with DR1 MHC Class II presenting PKYVKQNTLKLAT

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	2015-07-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 2
Unit cell lengths	132.280, 184.900, 50.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.450 - 1.910
Rwork	0.205
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fyt
RMSD bond length	0.011
RMSD bond angle	1.709
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.460	1.960
High resolution limit [Å]	1.910	1.910
Rmerge	0.078	1.260
Rmeas	0.084	1.354
Rpim	0.031	0.491
Number of reflections	96543	7001
<I/σ(I)>	14.1
Completeness [%]	99.9	99.9
Redundancy	7.2	7.4
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	291	0.1 M Na Cacodylate, 0.2 M NH4 SO4, 15 % PEG 8000