8W73

Fe-O nanocluster of form-I 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	180.328, 180.328, 180.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.082 - 2.601
R-factor	0.1857
Rwork	0.180
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.084
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	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.295	0.070	1.859
Rmeas	0.297	0.070	1.876
Rpim	0.035	0.009	0.248
Number of reflections	14585	493	380
<I/σ(I)>	2
Completeness [%]	100.0	100	100
Redundancy	70.3	56.8	56.2
CC(1/2)	0.994	1.000	0.899

Crystallization Conditions

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