4JRY

Crystal Structure of SB47 TCR-HLA B*3505-LPEP complex

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	2011-08-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.956
Spacegroup name	I 4
Unit cell lengths	237.600, 237.600, 61.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.800
Rwork	0.200
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ak4 1zhk
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	168.000		2.900
High resolution limit [Å]	2.800	10.000	2.800
Rmerge	0.145	0.069	0.476
Rmeas		0.075	0.511
Number of reflections	42851	1011	4208
<I/σ(I)>	9.59	16.85	3.45
Completeness [%]	99.9	99.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	12% PEG 10K, 0.2M Na tartrate, 10mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K