1C16

CRYSTAL STRUCTURE ANALYSIS OF THE GAMMA/DELTA T CELL LIGAND T22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	167.110, 91.470, 122.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.245 *
Rwork	0.284
R-free	0.30100 *
RMSD bond length	0.009 *
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	50.000
High resolution limit [Å]	3.000	3.000
Rmerge	0.083	0.346
Number of reflections	34819	2597 *
<I/σ(I)>	8.6
Completeness [%]	90.7	69.2
Redundancy	2.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	13 (mg/ml)
2	1	1	imidazole-maleate	0.1 (M)
3	1	1	calcium acetate	0.2 (M)
4	1	1	PEG8000	10 (%)