1TMT

CHANGES IN INTERACTIONS IN COMPLEXES OF HIRUDIN DERIVATIVES AND HUMAN ALPHA-THROMBIN DUE TO DIFFERENT CRYSTAL FORMS

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	80.500, 107.100, 45.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.177
Rwork	0.177
RMSD bond length	0.014
RMSD bond angle	3.000
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	2.200
Rmerge	0.086 *
Total number of observations	43768 *
Number of reflections	18572 *
Completeness [%]	89.0 *

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	0.1 (M)
2	1	reservoir	PEG6000	6-10 (%)