2IBG

Crystal Structure of Hedgehog Bound to the FNIII Domains of Ihog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Detector technology	CCD
Collection date	2005-10-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	75.354, 70.003, 155.695
Unit cell angles	90.00, 90.18, 90.00

Refinement procedure

Resolution	37.680 - 2.200
R-factor	0.2
Rwork	0.198
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2IBB PDB Entry 1VHH
RMSD bond length	0.015
RMSD bond angle	1.456
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200	2.200
Rmerge	0.123	0.817
Number of reflections	82885
<I/σ(I)>	11.6	1.8
Completeness [%]	100.0	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	2.0M Na/K phosphate pH 6.4, 0.2M lithium sulfate, 0.05M CAPS pH 10.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	2.0M Na/K phosphate pH 6.4, 0.2M lithium sulfate, 0.05M CAPS pH 10.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K