2ENB

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	48.770, 48.770, 63.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 * - 2.050
R-factor	0.177
Rwork	0.177
RMSD bond length	0.010
RMSD bond angle	3.700
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	6.000 *
High resolution limit [Å]	1.950 *
Rmerge	0.043 *
Total number of observations	37566 *
Number of reflections	8297 *
Completeness [%]	80.0 *

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	pdTp	10 (mM)
4	1	reservoir	MPD	32-34 (%(v/v))