3MV9

Crystal Structure of the TK3-Gln55Ala TCR in complex with HLA-B*3501/HPVG

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	2009-08-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.979457
Spacegroup name	P 1
Unit cell lengths	44.900, 62.570, 98.140
Unit cell angles	92.04, 102.29, 109.18

Refinement procedure

Resolution	39.248 - 2.700
R-factor	0.238
Rwork	0.234
R-free	0.33100
Structure solution method	2fyy, 3ffc
RMSD bond length	0.007
RMSD bond angle	1.121
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000		2.800
High resolution limit [Å]	2.700	10.000	2.700
Rmerge	0.086	0.036	0.459
Number of reflections	25447	511	2749
<I/σ(I)>	12.04	31.2	2.9
Completeness [%]	94.5	95	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	15%PEG 3350, 0.2M LiSO4, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K