8FFD

Crystal structure of manganeese bound Dps protein (PA0962) from Pseudomonas aeruginosa (cubic form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	291
Detector technology	PIXEL
Collection date	2022-06-06
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 21 3
Unit cell lengths	223.914, 223.914, 223.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 2.200
R-factor	0.1723
Rwork	0.170
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.962
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.860	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.188	1.272
Rmeas	0.198	1.346
Rpim	0.061	0.436
Total number of observations	1964631	87882
Number of reflections	188113	9297
<I/σ(I)>	10.2	1.9
Completeness [%]	100.0
Redundancy	10.4	9.5
CC(1/2)	0.997	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.8 M Na/K tartrate, 100 mM Tris, 0.5% (w/v) PEG 5000 MME