1JY3

Crystal Structure of the Central Region of Bovine Fibrinogen (E5 Fragment) at 1.4 Angstroms Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.087
Spacegroup name	P 21 21 21
Unit cell lengths	53.700, 59.100, 97.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.600
R-factor	0.194 *
Rwork	0.194
R-free	0.22000
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	19.745 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.059 *	0.147 *
Total number of observations	1321351 *
Number of reflections	41785
Completeness [%]	99.4
Redundancy	31.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	295	PEG 3350, Calcium chloride, Tris, Dioxane, Sodium azide, pH 8.0, VAPOR DIFFUSION, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG3350	15.0 (%)
3	1	reservoir		150 (mM)
4	1	reservoir	dioxane	3.5 (%)
5	1	reservoir		3 (mM)
6	1	reservoir	Tris-HCl	20 (mM)	pH8.0