1HDT

STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	108.970, 80.920, 46.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 * - 2.600
R-factor	0.204
Rwork	0.204
RMSD bond length	0.014
RMSD bond angle	2.030
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.600 *
Rmerge	0.079 *
Total number of observations	22579 *
Number of reflections	11866 *
Completeness [%]	85.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	complex	4 (mg/ml)
2	1	reservoir	sodium acetate	0.1 (M)
3	1	reservoir	PEG8000	12 (%)
4	1	reservoir	magnesium chloride	50 (mM)