1LR8

Crystal structure of Fs1, the heparin-binding domain of follistatin, complexed with the heparin analogue D-myo-inositol hexasulphate (Ins6S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9202
Spacegroup name	P 21 21 21
Unit cell lengths	21.499, 38.208, 77.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.900 * - 2.100
R-factor	0.22216
Rwork	0.221
R-free	0.25100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lr7
RMSD bond length	0.026 *
RMSD bond angle	2.270 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.900	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.080 *	0.260 *
Number of reflections	4026
Completeness [%]	98.6	99.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	18 *	15-25% PEG8000, 0.2-0.6 M Magnesium acetate, 0.1 M Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG8000	15-25 (%)
3	1	reservoir	magnesium acetate	0.2-0.6 (M)
4	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5