8FFC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	291
Detector technology	PIXEL
Collection date	2020-10-07
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	1.0000
Spacegroup name	P 21 3
Unit cell lengths	223.900, 223.900, 223.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.910 - 1.850
R-factor	0.1633
Rwork	0.162
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19rc5_4043)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.860	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.149	1.985
Rmeas	0.153	2.035
Rpim	0.034	0.444
Total number of observations	6542757	325945
Number of reflections	315151	15535
<I/σ(I)>	15.2	1.9
Completeness [%]	100.0
Redundancy	20.8	21
CC(1/2)	0.999	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	8% (w/v) PEG 8000, 100 mM Hepes. Soaking: crystals were transferred to a solution containing 80% crystallant, 20% PEG 200 and 50 mM FeCl2 and soaked for 10 minutes. Samples were harvested directly from the soaking solution