1FYT

CRYSTAL STRUCTURE OF A COMPLEX OF A HUMAN ALPHA/BETA-T CELL RECEPTOR, INFLUENZA HA ANTIGEN PEPTIDE, AND MHC CLASS II MOLECULE, HLA-DR1

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	1999-11-20
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	142.902, 73.439, 122.428
Unit cell angles	90.00, 108.23, 90.00

Refinement procedure

Resolution	19.970 - 2.600
R-factor	0.222 *
Rwork	0.221
R-free	0.25500
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.076	0.221
Number of reflections	37159
<I/σ(I)>	17.7
Completeness [%]	99.7	99.8
Redundancy	6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	used seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	11 (%)
3	1	reservoir		1 (M)
4	1	reservoir	HEPES	100 (mM)