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CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING

Experimental procedure

Spacegroup name	P 41
Unit cell lengths	48.050, 48.050, 63.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 * - 1.950
R-factor	0.174
Rwork	0.174
RMSD bond length	0.011
RMSD bond angle	3.100
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	1.890 *
Rmerge	0.046 *
Total number of observations	44141 *
Number of reflections	9811 *
Completeness [%]	85.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *		4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	D21E protein solution	18 (mg/ml)
2	1	reservoir	TES	50 (mM)
3	1	reservoir		10 (mM)
4	1	reservoir	pdTp	10 (mM)
5	1	reservoir	MPD	50-52 (%(v/v))