3SKN

Crystal structure of the RL42 TCR unliganded

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	2009-07-08
Detector	ADSC QUANTUM 210
Wavelength(s)	0.954
Spacegroup name	P 1
Unit cell lengths	74.970, 77.810, 99.640
Unit cell angles	69.35, 72.20, 83.33

Refinement procedure

Resolution	45.492 - 2.900
R-factor	0.1989
Rwork	0.194
R-free	0.29170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kgc
RMSD bond length	0.005
RMSD bond angle	0.918
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	3.000
High resolution limit [Å]	2.900	10.000	2.900
Rmerge	0.094	0.041	0.577
Number of reflections	43561	1062	4233
<I/σ(I)>	11.98	30.74	2.41
Completeness [%]	97.7	96.7	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1M magnesium formate, 13% PEG 3350, pH 8, vapor diffusion, hanging drop, temperature 277K