9J1I

Apo structure of the F2Y224-FtmOx1 mutant with metal Iron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	60.443, 45.610, 105.148
Unit cell angles	90.00, 100.02, 90.00

Refinement procedure

Resolution	36.080 - 2.110
R-factor	0.1744
Rwork	0.172
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y5s
RMSD bond length	0.007
RMSD bond angle	0.853
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.080	2.190
High resolution limit [Å]	2.110	2.110
Rmerge	0.069
Rmeas	0.083
Number of reflections	32539	3155
<I/σ(I)>	11.18
Completeness [%]	99.2
Redundancy	3.2
CC(1/2)	0.997	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	100 mM MES pH 6.0 50 mM CoCl2 1.8 M ammonium sulfate