3O6F

Crystal structure of a human autoimmune TCR MS2-3C8 bound to MHC class II self-ligand MBP/HLA-DR4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-06
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	102.480, 218.403, 98.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 2.800
R-factor	0.239
Rwork	0.239
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBG ENTRIES 1J8H 1ymm 3dx9 1kgc
RMSD bond length	0.010
RMSD bond angle	1.339
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.088	0.355
Number of reflections	55156
<I/σ(I)>		5.2
Completeness [%]	100.0	100
Redundancy	14.7	14.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	293	10% (w/v) polyethylene glycol 8000, 0.2 M calcium acetate, and 0.1 M imidazole, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 8.5