2AXH

Crystal structures of T cell receptor beta chains related to rheumatoid arthritis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9794
Spacegroup name	P 63 2 2
Unit cell lengths	187.334, 187.334, 86.279
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.180 - 2.700
R-factor	0.237
Rwork	0.237
R-free	0.28000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.075	0.478
Number of reflections	24387
<I/σ(I)>	35	5.2
Completeness [%]	97.6	99.6
Redundancy	6.6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.6-0.7m sodium citrate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.6-0.7m sodium citrate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.6-0.7m sodium citrate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K