3DMM

Crystal structure of the CD8 alpha beta/H-2Dd complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-12-05
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	79.468, 96.694, 97.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.320 - 2.600
R-factor	0.248
Rwork	0.248
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1QO3 2atp
RMSD bond length	0.011
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.057	0.432
Number of reflections	22842
<I/σ(I)>	17.45	2.6
Completeness [%]	96.1	76.9
Redundancy	6.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	291	12% PEG 3000, 0.05M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K