1BLS

CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG

Experimental procedure

Spacegroup name	P 1 21 1
Unit cell lengths	46.500, 83.470, 95.460
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.192
RMSD bond length	0.010
RMSD bond angle	1.100
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]		2.320 *
Rmerge	0.044 *	0.158 *
Total number of observations	82494 *
Number of reflections	28780 *	7904 *
Completeness [%]	91.0 *	76 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG8000
2	1	1	sodium cacodylate	50 (mM)