7JWL

Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	68.540, 83.950, 90.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.720 - 2.200
R-factor	0.168
Rwork	0.164
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wel
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.720	39.720
High resolution limit [Å]	2.200	2.200
Rmerge	0.067	0.534
Rmeas	0.073	0.030
Total number of observations	164537
Number of reflections	26980	327
<I/σ(I)>	17.37	3.09
Completeness [%]	99.8	99.9
Redundancy	6.098	5.061
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	MORPHEUS H12 (293699H12): 12.5% W/V PEG1000, 12.5% W/V PEG3350, 12.5% V/V MPD, 100MM BICINE/TRIZMA