4PRI

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.984
Spacegroup name	P 1
Unit cell lengths	44.580, 62.380, 100.460
Unit cell angles	98.17, 94.59, 109.12

Refinement procedure

Resolution	41.700 - 2.400
R-factor	0.213
Rwork	0.213
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vm7
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.700		2.500
High resolution limit [Å]	2.400	10.000	2.400
Rmerge	0.070	0.018	0.323
Number of reflections	73467	1019	8684
<I/σ(I)>	10.77	34.91	2.69
Completeness [%]	93.6	93.1	96.2

Crystallization Conditions

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