9E47

Crystal Structure of FosA from Pseudomonas aeruginosa with Manganese and (1-Hydroxypropan-2-yl)phosphonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	55.417, 64.907, 74.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.180 - 1.590
R-factor	0.1891
Rwork	0.188
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.784
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.180	1.630
High resolution limit [Å]	1.590	1.590
Rmeas		7.847
Number of reflections	84580	837
<I/σ(I)>	12.36
Completeness [%]	97.2
Redundancy	5.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	85 mM K2HPO4 (pH 7.0), 40.5% PEP629, 1 mM MnCl2, and 40 mM KCl