1J8H

Crystal Structure of a Complex of a Human alpha/beta-T cell Receptor, Influenza HA Antigen Peptide, and MHC Class II Molecule, HLA-DR4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	143.753, 73.317, 123.033
Unit cell angles	90.00, 108.52, 90.00

Refinement procedure

Resolution	19.810 - 2.400
R-factor	0.208 *
Rwork	0.211
R-free	0.24500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1FYT.pdb
RMSD bond length	0.007
RMSD bond angle	1.380 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.058	0.330
Number of reflections	46705 *
<I/σ(I)>	20.6
Completeness [%]	96.8	96.37 *
Redundancy	4.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	18 *	13% PEG 8000, 1 M NaCl, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	13 (%)
3	1	reservoir		1 (M)
4	1	reservoir	HEPES	100 (mM)	pH7.0