8FFB

Crystal structure of iron bound Dps protein (PA0962) from Pseudomonas aeruginosa (orthorhombic 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	2020-12-15
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	131.081, 131.837, 157.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 2.250
R-factor	0.1856
Rwork	0.183
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_4126)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.860	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.128	1.245
Rmeas	0.139	1.353
Rpim	0.053	0.526
Total number of observations	866553	41723
Number of reflections	129943	6378
<I/σ(I)>	11.2	1.6
Completeness [%]	100.0
Redundancy	6.7	6.5
CC(1/2)	0.997	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1 M (NH4)2SO4, 1M KCl, 100 mM HEPES. Soaking: crystals were transferred to a solution containing 80% crystallant, 20% glycerol and 50 mM FeCl2 and soaked for 10 minutes. Samples were harvested directly from the soaking solution.