1SEK

THE STRUCTURE OF ACTIVE SERPIN K FROM MANDUCA SEXTA AND A MODEL FOR SERPIN-PROTEASE COMPLEX FORMATION

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	125.960, 42.050, 76.050
Unit cell angles	90.00, 117.60, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.199
Rwork	0.199
R-free	0.26000
RMSD bond length	0.007
RMSD bond angle	1.400
Phasing software	X-PLOR (3.85)
Refinement software	X-PLOR (3.85)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.100 *
Rmerge	0.070 *
Total number of observations	43967 *
Number of reflections	20609 *
Completeness [%]	93.9 *	66 *
Redundancy	2.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.8 *	21 *	drop contains equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	reservoir	PEG6000	28 (%)
3	1	reservoir		1.2 (M)
4	1	reservoir	EDTA	1 (mM)
5	1	reservoir	dithiothreitol	5 (mM)
6	1	reservoir	MES	100 (mM)