7ONZ

Crystal structure of PBP3 from P. aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	151.492, 37.455, 82.752
Unit cell angles	90.00, 112.57, 90.00

Refinement procedure

Resolution	40.750 - 1.860
R-factor	0.2115
Rwork	0.209
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oc2
RMSD bond length	0.003
RMSD bond angle	0.601
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.751	2.091
High resolution limit [Å]	1.858	1.858
Rmeas	0.071	0.966
Number of reflections	19031	952
<I/σ(I)>	12.3	1.6
Completeness [%]	74.8	3.6
Redundancy	6.1	4.6
CC(1/2)	0.998	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	9 mg/ml PBP3, 0.2 M potassium/sodium tartrate, 20% (w/v) PEG 3350, 10% DMSO