2A45

Crystal structure of the complex between thrombin and the central "E" region of fibrin

Replaces:  1QVH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 31
Unit cell lengths	76.263, 76.263, 192.452
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.700 - 3.650
R-factor	0.221
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1PPB 1jy2
RMSD bond length	0.013
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.240	3.780
High resolution limit [Å]	3.650	3.650
Number of reflections	26890
<I/σ(I)>	3.4	1.9
Completeness [%]	96.3	87.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.9	298	PEG 3500, AMMONIUM PHOSPHATE, TRIS, pH 7.90, MICRODIALYSIS, temperature 298K