3T0E

Crystal structure of a complete ternary complex of T cell receptor, peptide-MHC and CD4

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	2010-08-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	146.151, 146.151, 231.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.672 - 4.000
R-factor	0.2417
Rwork	0.238
R-free	0.30470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.103
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	47.672
High resolution limit [Å]	4.000
Rmerge	0.099
Number of reflections	21818
Completeness [%]	99.0
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	277	10 mM Tris-HCl pH8, 10 mM NaAc pH5.2, 5 mM NaCl, EVAPORATION, temperature 277K