4TPI

THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR

Experimental procedure

Spacegroup name	I 2 2 2
Unit cell lengths	75.510, 85.450, 122.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.240 *
Rwork	0.170
RMSD bond length	0.013
RMSD bond angle	2.370
Refinement software	EREF

Data quality characteristics

	Overall
High resolution limit [Å]	2.240 *
Rmerge	0.069 *
Total number of observations	18470 *
Number of reflections	12422 *
Completeness [%]	63.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.9 *	20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	magnesium sulfate	1.5-1.7 (M)
2	1	drop	trysinogen	10 (mg/ml)
3	1	drop	[Arg15]PTI	2 (mg/ml)