9OZA

Crystal Structure of FosA from Pseudomonas aeruginosa with Manganese and Chloromethylphosphonic acid

This is a non-PDB format compatible entry.

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	55.079, 64.572, 74.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.910 - 1.480
R-factor	0.1771
Rwork	0.175
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.726
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]	41.910	1.510
High resolution limit [Å]	1.470	1.470
Rmerge		1.310
Number of reflections	85660	6184
<I/σ(I)>	9.7
Completeness [%]	93.7
Redundancy	2
CC(1/2)	0.999

Crystallization Conditions

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