3SJV

Crystal structure of the RL42 TCR in complex with HLA-B8-FLR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	100.080, 185.000, 217.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.991 - 3.100
R-factor	0.2562
Rwork	0.253
R-free	0.32130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kgc 1m05
RMSD bond length	0.003
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.200
High resolution limit [Å]	3.100	10.000	3.100
Rmerge	0.118	0.032	0.707
Number of reflections	73724	2069	6625
<I/σ(I)>	14.85	42.47	3.15
Completeness [%]	99.5	85.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.2M ammonium tartrate, 14% PEG 3350, 7% ethylene glycol, pH 8, vapor diffusion, hanging drop, temperature 277K