1O70

Novel Fold Revealed by the Structure of a FAS1 Domain Pair from the Insect Cell Adhesion Molecule Fasciclin I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-15
Detector	ADSC CCD
Spacegroup name	P 43 3 2
Unit cell lengths	150.806, 150.806, 150.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.225
Rwork	0.225
R-free	0.26300 *
Structure solution method	MIR
RMSD bond length	0.008 *
RMSD bond angle	1.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	2.600	2.600
Rmerge	0.058	0.309 *
Number of reflections	17949
<I/σ(I)>	4.4	2.4
Completeness [%]	97.1	97.5
Redundancy	8.4	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		0.1 M TRIS-HCL PH 8.5, 2.0 M AMMONIUM SULFATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	sodium HEPES	0.01 (M)	pH7.5
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
4	1	reservoir	ammonium sulfate	2.0 (M)