3KPS

Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLQAFTY a self peptide from the ABCD3 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-01
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	142.518, 54.237, 121.766
Unit cell angles	90.00, 114.43, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.197
Rwork	0.193
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1SYV and 1KGC
RMSD bond length	0.009
RMSD bond angle	1.202
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.071	0.030	0.295
Number of reflections	21530
<I/σ(I)>	11.7
Completeness [%]	92.0	100	55.6
Redundancy	3.3	3.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2M NaOAc, 12-18% PEG 4000, 0.1M Tris, pH 8.5, vapor diffusion, hanging drop, temperature 277K