1RF0

Crystal Structure of Fragment D of gammaE132A Fibrinogen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-01-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98389
Spacegroup name	P 21 21 21
Unit cell lengths	88.408, 94.948, 227.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 * - 2.800 *
R-factor	0.233
Rwork	0.233
R-free	0.28600
Structure solution method	rigid body refinement
Starting model (for MR)	1lt9
RMSD bond length	0.007
RMSD bond angle	1.240 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.110 *	0.408 *
Total number of observations	186713 *
Number of reflections	46581
<I/σ(I)>	13	3.4
Completeness [%]	99.5	99.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *	4 *	14-15% PEG 3350, 70 mM calcium chloride, 2 mM sodium azide, 50 mM Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	Tris	50 (mM)	pH7.4
3	1	reservoir	Tris	50 (mM)	pH8.5
4	1	reservoir		2 (mM)
5	1	reservoir		70 (mM)
6	1	reservoir	PEG3350	14-15 (%)