8W7T

Fe-O nanocluster of form-VII 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	179.789, 179.789, 179.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.947 - 2.499
R-factor	0.162
Rwork	0.155
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.879
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]	2.499	6.780	2.500
Rmerge	0.337	0.084	1.880
Rmeas	0.340	0.085	1.902
Rpim	0.040	0.011	0.288
Number of reflections	16288	547	450
<I/σ(I)>	1.7
Completeness [%]	100.0	100	100
Redundancy	69.3	57.4	42.6
CC(1/2)	0.996	0.999	0.779

Crystallization Conditions

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