7OC1

Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.918399
Spacegroup name	P 21 21 21
Unit cell lengths	84.024, 137.199, 65.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.690 - 1.800
R-factor	0.15882
Rwork	0.157
R-free	0.18773
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jb6
RMSD bond length	0.011
RMSD bond angle	1.492
Data reduction software	xia2
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.690	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.102	0.301
Rmeas	0.118	0.352
Rpim	0.045	0.135
Number of reflections	71222	3493
<I/σ(I)>	11.05	4.98
Completeness [%]	100.0	98.6
Redundancy	6.7	6.7
CC(1/2)	0.995	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.24M NH4HCO2 and 31.2% PEG3350