3QDM

The complex between TCR DMF4 and human Class I MHC HLA-A2 with the bound MART-1(26-35)(A27L) decameric peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	56.012, 69.745, 227.103
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.2146
Rwork	0.211
R-free	0.28390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gj6
RMSD bond length	0.010
RMSD bond angle	1.476
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.850
High resolution limit [Å]	2.800	7.470	2.800
Rmerge	0.147	0.065	0.856
Number of reflections	21235
<I/σ(I)>	13.7
Completeness [%]	92.9	94.9	89.8
Redundancy	5.2	5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	297	PEG 24%, TRIS 0.1, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K