8W74

Fe-O nanocluster of form-II in the 4-fold channel of Ureaplasma diversum ferritin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.55
Spacegroup name	F 4 3 2
Unit cell lengths	179.646, 179.646, 179.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.912 - 2.500
R-factor	0.1882
Rwork	0.183
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.793
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.287	0.096	1.670
Rmeas	0.289	0.096	1.688
Rpim	0.034	0.013	0.241
Number of reflections	16236	547	444
<I/σ(I)>	2
Completeness [%]	100.0	100	100
Redundancy	69.1	57.2	48.2
CC(1/2)	0.993	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	Bicine, MgCl2