1NAM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.980
Spacegroup name	P 43 21 2
Unit cell lengths	101.860, 101.860, 201.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.700
R-factor	0.237 *
Rwork	0.230
R-free	0.29700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fo0
RMSD bond length	0.010
RMSD bond angle	1.270 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.100	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.083 *	0.437 *
Number of reflections	29887
<I/σ(I)>	7.9	1.6
Completeness [%]	99.5	99.2
Redundancy	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG6000 13-17%, MgAc 0.1M, NaCl 0-0.1M, Hepes 0.1M, pH 7.0 to 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	reservoir	PEG6000	13-17 (%)
3	1	reservoir	HEPES	0.1 (M)	pH7.0-7.5
4	1	reservoir	magnesium acetate	0-0.1 (M)
5	1	reservoir		0-0.1 (M)