1BTH

STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1995-10-10
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	71.200, 74.500, 83.400
Unit cell angles	90.00, 92.50, 90.00

Refinement procedure

Resolution	6.000 - 2.300
R-factor	0.196
Rwork	0.196
R-free	0.27100
RMSD bond length	0.011
RMSD bond angle	1.690
Data reduction software	MOSFLM
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.300 *	2.300 *
Rmerge	0.100	0.303 *
Total number of observations	98344 *
Number of reflections	37833 *
Completeness [%]	1.0	97.8 *
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	mPEG5000	20 (%)
2	1	reservoir	HEPES	0.1 (M)