5WJO

Crystal structure of the unliganded PG90 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	2015-07-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	41.150, 128.080, 169.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.180 - 2.500
R-factor	0.209
Rwork	0.208
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dxa 1mi5
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.180	2.600
High resolution limit [Å]	2.500	2.500
Rpim	0.013	0.057
Number of reflections	32046	3558
<I/σ(I)>	6.8	2.1
Completeness [%]	100.0	100
Redundancy	6.9	6.6
CC(1/2)	0.982	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 3350, 0.2M Magnesium Formate