8W7B

Fe-O nanocluster of form-IV 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	2023-03-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.55
Spacegroup name	F 4 3 2
Unit cell lengths	179.802, 179.802, 179.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.951 - 2.700
R-factor	0.189
Rwork	0.183
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.906
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	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.291	0.082	1.644
Rmeas	0.293	0.083	1.656
Rpim	0.034	0.011	0.190
Number of reflections	12948	445	357
<I/σ(I)>	1.9
Completeness [%]	100.0	100	100
Redundancy	71.4	56.3	74.5
CC(1/2)	0.987	0.999	0.960

Crystallization Conditions

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