5C08

1E6 TCR in Complex with HLA-A0e carrying RQWGPDPAAV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	43.800, 99.260, 122.150
Unit cell angles	96.33, 98.07, 96.42

Refinement procedure

Resolution	48.910 - 2.332
R-factor	0.2095
Rwork	0.206
R-free	0.27180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3UTP and 3UTQ
RMSD bond length	0.015
RMSD bond angle	1.908
Data reduction software	XDS
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.913	48.913	2.390
High resolution limit [Å]	2.332	10.430	2.330
Rmerge		0.020	0.291
Rmeas	0.075
Rpim	0.050	0.023	0.418
Total number of observations	181534	1943	13357
Number of reflections	83315
<I/σ(I)>	12.7	35.8	2
Completeness [%]	97.4	94.8	96.5
Redundancy	2.2	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M sodium cholride, 0.1M MES pH6, 20% PEG 6000