8W7O

Fe-O nanocluster of form-V 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	180.504, 180.504, 180.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.126 - 2.399
R-factor	0.1825
Rwork	0.178
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.809
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	2.440
High resolution limit [Å]	2.390	6.510	2.400
Rmerge	0.247	0.076	1.407
Rmeas	0.249	0.076	1.419
Rpim	0.029	0.010	0.182
Number of reflections	18635	613	501
<I/σ(I)>	2.5
Completeness [%]	100.0	100	100
Redundancy	71.1	57.9	60.3
CC(1/2)	0.998	0.999	0.865

Crystallization Conditions

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