4PRH

Crystal structure of TK3 TCR-HLA-B*35:08-HPVG-D5 complex

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	2012-11-13
Detector	ADSC QUANTUM 315r
Spacegroup name	P 1
Unit cell lengths	44.835, 62.081, 98.334
Unit cell angles	92.70, 101.92, 108.21

Refinement procedure

Resolution	35.680 - 2.500
R-factor	0.2142
Rwork	0.212
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fyy
RMSD bond length	0.009
RMSD bond angle	1.170
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.075	0.445
Number of reflections	32833
<I/σ(I)>	11.79	3.27
Completeness [%]	96.9	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	298	18% PEG 3350, 0.2M LiSO4 and 0.1M Na-Citrate pH 5.6, vapor diffusion, temperature 298K