3QDG

The complex between TCR DMF5 and human Class I MHC HLA-A2 with the bound MART-1(26-35)(A27L) peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-10-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	228.361, 46.554, 86.036
Unit cell angles	90.00, 106.73, 90.00

Refinement procedure

Resolution	20.000 - 2.690
R-factor	0.221
Rwork	0.218
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gj6
RMSD bond length	0.009
RMSD bond angle	1.354
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.750
High resolution limit [Å]	2.690	7.220	2.690
Rmerge	0.079	0.048	0.269
Number of reflections	22060
<I/σ(I)>	18.18
Completeness [%]	90.3	93.4	62.2
Redundancy	3.1	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	297	PEG 30%, TRIS 0.1M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K