8W7Q

Fe-O nanocluster of form-VI 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	180.096, 180.096, 180.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.024 - 2.100
R-factor	0.1704
Rwork	0.166
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.798
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.230	0.090	1.842
Rmeas	0.232	0.091	1.865
Rpim	0.028	0.011	0.288
Number of reflections	27565	886	743
<I/σ(I)>	2.8
Completeness [%]	100.0	100	100
Redundancy	69.3	61.2	41.5
CC(1/2)	0.992	0.998	0.768

Crystallization Conditions

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