1TPC

OFFSET OF A CATALYTIC LESION BY A BOUND WATER SOLUBLE

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	136.400, 73.900, 55.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000 *
R-factor	0.174 *
RMSD bond length	0.015
RMSD bond angle	0.030
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000 *
High resolution limit [Å]	1.900 *
Rmerge	0.085 *
Total number of observations	107422 *
Number of reflections	37566 *
Completeness [%]	83.0 *

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PGH	1.5 (M)	0.0048ml
2	1	drop	protein		0.1152ml
3	1	reservoir	Tris-HCl	100 (mM)
4	1	reservoir	lithium sulfate	200 (mM)
5	1	reservoir	PEG8000	12.5-21 (%)	in 2.5% increments