4JFH

High Affinity alpha24-beta17 T Cell Receptor for A2 HLA-Melanoma peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-26
Wavelength(s)	0.9778
Spacegroup name	P 32 2 1
Unit cell lengths	97.140, 97.140, 123.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.669 - 2.400
R-factor	0.2029
Rwork	0.201
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.206
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.670	49.669	2.460
High resolution limit [Å]	2.400	10.740	2.400
Rmerge	0.192	0.025	0.025
Total number of observations		3212	22080
Number of reflections	26783
<I/σ(I)>	16.6	8.6	0.2
Completeness [%]	100.0	99.2	100
Redundancy	10.9	9	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M sodium cacodylate, 20% PEG 8000, 0.2 M ammonium sulphate, pH 6.5, vapor diffusion, sitting drop, temperature 291K