3PQY

Crystal Structure of 6218 TCR in complex with the H2Db-PA224

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	105.893, 199.063, 202.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.608 - 3.192
R-factor	0.2493
Rwork	0.246
R-free	0.31610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1YN6 and 1KGC
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	3.192
Number of reflections	70035
<I/σ(I)>	12.7
Completeness [%]	97.5
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	10-14% PEG 3350, 0.2M KCN, 0.1M Bis Tris Propane pH 6.8, 5% glycerol, vapor diffusion, hanging drop, temperature 277K