2Z4E

Crystal Structure of D-Dimer from Human Fibrin Complexed with Gly-His-Arg-Pro-Tyr-amide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.630, 148.690, 232.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.2177
Rwork	0.216
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fzf
RMSD bond length	0.008
RMSD bond angle	1.348
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.660	2.660
Number of reflections	55743
<I/σ(I)>	14.4
Completeness [%]	99.9	99.6
Redundancy	9.7	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	equal volumes of (a) 9 mg/ml D-dimer, 2mM Gly-His-Arg-Pro-amide, 0.05M Tris, pH 7.0, 5mM CaCl2; (b) 10% PEG, 5mM CaCl2, 0.05M Tris, pH 8.0, 2mM sodium azide; The crystal was subsequently soaked in 0.5mM Gly-His-Arg-Pro-Tyr-amide in solution of came constitution., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K