1FJM

Protein serine/threonine phosphatase-1 (alpha isoform, type 1) complexed with microcystin-LR toxin

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	64.740, 77.110, 130.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.100
R-factor	0.178
Rwork	0.178
RMSD bond length	0.007
RMSD bond angle	1.400
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.100 *
Rmerge	0.056 *	0.136 *
Total number of observations	180676 *
Number of reflections	38768 *
Completeness [%]	99.5 *	97.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
10	1	reservoir	PEG4000	32 (%)
11	1	reservoir	1,7-diaminoheptane	1.0 (M)
2	1	drop		0.5 (M)
3	1	drop	microcystin-LR		4-fold molar excess
4	1	drop	Tris-HCl	50 (mM)
5	1	drop	beta-mercaptoethanol	10 (mM)
6	1	drop		0.9 (mM)
7	1	drop	EGTA	0.1 (mM)
8	1	reservoir	Tris-HCl	65 (mM)
9	1	reservoir		200 (mM)