8W8Z

Escherichia coli ferritin mutant-M52H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	193
Detector technology	PIXEL
Collection date	2022-10-26
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	I 2 3
Unit cell lengths	224.990, 224.990, 224.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.500 - 2.050
R-factor	0.2194
Rwork	0.219
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bfr
RMSD bond length	0.009
RMSD bond angle	1.045
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.500	2.050
High resolution limit [Å]	2.050	2.050
Number of reflections	230390	14354
<I/σ(I)>	34.03
Completeness [%]	99.0
Redundancy	2
CC(1/2)	0.945	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.0 M NaCl, 5% PEG400, 100 mM HEPES/NaOH pH 7.5, and 20% Glycerol