4L0L

Crystal structure of P.aeruginosa PBP3 in complex with compound 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	67.725, 82.832, 88.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.270 - 2.100
R-factor	0.2109
Rwork	0.208
R-free	0.27540
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.100
Number of reflections	29128
Completeness [%]	98.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	297	30% PEG4000, 0.2M MgCl2, 0.1M Tris pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K