1B12

CRYSTAL STRUCTURE OF TYPE 1 SIGNAL PEPTIDASE FROM ESCHERICHIA COLI IN COMPLEX WITH A BETA-LACTAM INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1997-08-01
Detector	BRANDEIS
Spacegroup name	P 21 21 2
Unit cell lengths	110.700, 113.200, 99.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.500 - 1.950
R-factor	0.22
Rwork	0.220
R-free	0.24600
Structure solution method	MIR
RMSD bond length	0.013
RMSD bond angle	27.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.056	0.051
Total number of observations	391951 *
Number of reflections	88159
<I/σ(I)>	21.9	5
Completeness [%]	97.2	85.4
Redundancy	4.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.6		pH 4.6