1FO0

MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	110
Detector technology	CCD
Collection date	1999-12-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	76.580, 120.420, 102.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.500
R-factor	0.218
Rwork	0.225
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1KB5 1vac
RMSD bond length	0.011
RMSD bond angle	0.030
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (4.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.100	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.081 *	0.375 *
Number of reflections	33614
<I/σ(I)>	8.3	1.9
Completeness [%]	99.9	100
Redundancy	7.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	4 *	PEG 6000 10% HEPES 0.1M PH 7.0 MGAC 0.25 M NACL 0.25M, pH 7.00, VAPOR DIFFUSION

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	reservoir	PEG6000	10 (%)
3	1	reservoir	HEPES	0.1 (M)
4	1	reservoir	magnesium acetate	0.25 (M)