9BUA

SfbO reconstituted with Mn(II) anaerobically

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	86.246, 128.725, 138.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.600 - 1.380
R-factor	0.1545
Rwork	0.154
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.600	1.429
High resolution limit [Å]	1.380	1.380
Number of reflections	315425	30941
<I/σ(I)>	17.62
Completeness [%]	99.7	98.71
Redundancy	13.2
CC(1/2)	0.999	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	19% PEG 5000 MME, 0.1M MES, 0.2M Ammonium sulfate, 10% glycerol