9E46

Crystal Structure of FosA from Pseudomonas aeruginosa with Manganese and (1-Hydroxy-2-methylpropyl)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	55.190, 64.532, 74.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.170 - 1.770
R-factor	0.1871
Rwork	0.184
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.836
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]	37.170	1.810
High resolution limit [Å]	1.770	1.770
Number of reflections	57153	545
<I/σ(I)>	9.26
Completeness [%]	95.7
Redundancy	5.6
CC(1/2)	0.998	0.212

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	82 mM K2HPO4 (pH 7.0) 42% PEP629, 1 mM MnCl2, and 40 mM KCl