1BX8

HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.4 ANGSTROMS

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-06
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	7.100 - 1.400
R-factor	0.1648 *
R-free	0.20660
Structure solution method	AB INITIO
RMSD bond length	0.012
RMSD bond angle	0.030
Data reduction software	MARSCALE
Data scaling software	MARSCALE
Phasing software	SHELX
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	7.100	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.062	0.174 *
Number of reflections	10468
<I/σ(I)>	50.5	8.5
Completeness [%]	98.6	97.7 *
Redundancy	6.8 *

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