2FFD

Fibrinogen Fragment D with "A" knob peptide mimic GPRVVE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-04-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	89.521, 94.652, 227.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.890
R-factor	0.214
Rwork	0.211
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ltj
RMSD bond length	0.008
RMSD bond angle	1.097
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.162	0.500
Number of reflections	42946
<I/σ(I)>	8.6	2.6
Completeness [%]	98.4	96.5
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	10% PEG3350, 12.5 mM CaCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K