6XQQ

Structure of human D462-E4 TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43 2 2
Unit cell lengths	115.222, 115.222, 183.992
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.990 - 2.680
R-factor	0.1951
Rwork	0.194
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.002
RMSD bond angle	0.462
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.990	2.780
High resolution limit [Å]	2.680	2.680
Number of reflections	35384	3444
<I/σ(I)>	26.62
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	16-24% PEG3350, 100 mM Bis Tris Propane, 200 mM Sodium Fluoride