4P2Q

Crystal structure of the 5cc7 TCR in complex with 5c2/I-Ek

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	C 1 2 1
Unit cell lengths	262.900, 102.210, 214.110
Unit cell angles	90.00, 95.04, 90.00

Refinement procedure

Resolution	39.630 - 3.300
R-factor	0.1905
Rwork	0.188
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.888
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.630	3.360
High resolution limit [Å]	3.300	3.300
Rmerge	0.177	1.980
Number of reflections	84684
<I/σ(I)>	9.3	1
Completeness [%]	99.3	96.5
Redundancy	7.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2M potassium citrate, 18% PEG 3350, 4% tert-butanol