1VZM

OSTEOCALCIN FROM FISH ARGYROSOMUS REGIUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-15
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	48.700, 48.700, 119.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.750 - 1.400
R-factor	0.1916
R-free	0.23460
Structure solution method	SIRAS
RMSD bond length	0.011
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXCD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.750	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.056	0.245
Number of reflections	32430
<I/σ(I)>	34.8	5.2
Completeness [%]	98.5	96.1
Redundancy	22.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	294	DROPS OF 1.5 MICRO-L OF PROTEIN SOLUTION, 10 MG/ML OSTEOCALCIN, 5 MM CACL2 AND 30 MM TRIS-HCL PH = 8, PLUS 1.5 MICRO-L OF WELL SOLUTION, MGCL2 0.2M, 30% PEG 4K AND TRIS-HCL 0.1M PH = 8.5, WERE EQUILIBRATED AGAINST 500 ML OF WELL SOLUTION AT 21DEGREES C OVER 2-3 WEEKS.