1PIO

AN ENGINEERED STAPHYLOCOCCUS AUREUS PC1 BETA-LACTAMASE THAT HYDROLYSES THIRD GENERATION CEPHALOSPORINS

Experimental procedure

Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1994-04-26
Detector	SIEMENS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	54.000, 67.600, 141.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.1888
Rwork	0.189
R-free	0.18900
RMSD bond length	0.012
RMSD bond angle	1.700
Data reduction software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	5.090 *
High resolution limit [Å]	2.800	2.800 *
Rmerge	0.147	0.423 *
Total number of observations	42538 *
Number of reflections	12885
Completeness [%]	96.6
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10.7 (mg/ml)
2	1	drop	reservoir solution
3	1	reservoir	ammonium sulfate	88 (%sat)
4	1	reservoir	PEG600	0.4 (%)
5	1	reservoir		0.3 (M)
6	1	reservoir		0.1 (M)