6DFQ

mouse diabetogenic TCR I.29

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979500
Spacegroup name	P 21 21 21
Unit cell lengths	95.107, 117.629, 234.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 2.600
R-factor	0.22153
Rwork	0.220
R-free	0.25253
RMSD bond length	0.009
RMSD bond angle	1.459
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.600	2.600
Number of reflections	76175
<I/σ(I)>	12.4
Completeness [%]	98.1
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% MPD, 100mM sodium cacodylate at pH6.0, 50mM calcium acetate