1TMU

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	80.900, 107.500, 45.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.202
RMSD bond length	0.019
RMSD bond angle	3.400
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	2.500 *
Rmerge	0.080 *
Total number of observations	35785 *
Number of reflections	13404 *
Completeness [%]	93.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	acetate	0.1 (M)
2	1	reservoir	PEG6000	6-12 (%)