1BX7

HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.2 ANGSTROMS

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, Hamburg
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	37.713, 37.713, 67.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.200 - 1.200
R-factor	0.127 *
R-free	0.22540
Structure solution method	AB INITIO
RMSD bond length	0.014
RMSD bond angle	0.036
Data reduction software	MARSCALE
Data scaling software	MARSCALE
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.200	1.250
High resolution limit [Å]	1.200	1.200
Rmerge	0.043	0.376
Number of reflections	15928
<I/σ(I)>	15	1.61
Completeness [%]	99.4	98.1
Redundancy	2.4	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.45		Di Marco, S., (1997) Protein Sci., 6, 109. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium citrate	0.1 (M)
2	1	1	ammonium sulfate	2 (M)
3	1	1	sodium potassium phosphate	0.2 (M)	tartrate