1PTA

THREE-DIMENSIONAL STRUCTURE OF PHOSPHOTRIESTERASE: AN ENZYME CAPABLE OF DETOXIFYING ORGANOPHOSPHATE NERVE AGENTS

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	80.200, 93.700, 45.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.100
R-factor	0.18
RMSD bond length	0.014
RMSD bond angle	17.100 *
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *
High resolution limit [Å]	2.090 *	2.090 *
Rmerge	0.043 *	0.171 *
Total number of observations	93927 *
Number of reflections	21816 *	2551 *
Completeness [%]	93.0 *	88 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop	HEPES	10 (mM)
3	1	reservoir	PEG8000	9 (%)
4	1	reservoir	bicine	100 (mM)
5	1	reservoir		5 (mM)
6	1	reservoir		1 (M)