1AO7

COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1996-05-05
Detector	ADSC QUANTUM
Spacegroup name	C 1 2 1
Unit cell lengths	229.300, 49.500, 96.000
Unit cell angles	90.00, 89.60, 90.00

Refinement procedure

Resolution	6.000 - 2.600
R-factor	0.245
Rwork	0.245
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT, HEAVY ATOM DERIVATIVES, ITERATIVE REAL-SPACE AVERAGING
Starting model (for MR)	PDB ENTRIES 1HHK 1BEC CHAIN 1934.4
RMSD bond length	0.007
RMSD bond angle	27.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	VECREF
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.110	0.246
Number of reflections	29279
<I/σ(I)>	7	3.9
Completeness [%]	95.0	82.9
Redundancy	3.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5		CRYSTALLIZED FROM 10% PEG 8000, 100 MM MGACETATE, 50 MM NACACODYLATE, PH 6.5