5HYJ

1E6 TCR in Complex with HLA-A02 carrying AQWGPDPAAA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	.91731
Spacegroup name	P 1
Unit cell lengths	41.440, 97.310, 121.370
Unit cell angles	97.29, 97.66, 92.73

Refinement procedure

Resolution	38.630 - 3.060
R-factor	0.2159
Rwork	0.212
R-free	0.29350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3utq 3utp
RMSD bond length	0.017
RMSD bond angle	2.024
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.630	3.140
High resolution limit [Å]	3.060	3.060
Rmerge	0.091	0.270
Number of reflections	34039
<I/σ(I)>	5.7
Completeness [%]	97.2
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.2M sodium citrate, 0.1M BIS TRIS propane pH6.5, 20% PEG 3350