1T7D

Crystal structure of Escherichia coli type I signal peptidase in complex with a lipopeptide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-05
Detector	ADSC QUANTUM 4
Spacegroup name	P 43 21 2
Unit cell lengths	69.609, 69.609, 258.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 2.470
R-factor	0.23
Rwork	0.230
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b12
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.560
High resolution limit [Å]	2.470	2.470
Rmerge	0.077	0.183
Number of reflections	21589
<I/σ(I)>	19.4	8
Completeness [%]	90.9	86.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		0.5% TRITON X-100, 15% PEG 4000, 20% PROPANOL, 0.1 M SODIUM CITRATE, PH 6.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K