8SMA

SfbO with di-Manganese cofactor

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	2022-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.89
Spacegroup name	P 21 21 21
Unit cell lengths	85.388, 127.408, 137.749
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.530 - 2.180
R-factor	0.1504
Rwork	0.149
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.850
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.530	2.258
High resolution limit [Å]	2.180	2.180
Number of reflections	78479	7775
<I/σ(I)>	17.91
Completeness [%]	99.2
Redundancy	12.4
CC(1/2)	0.998	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	21% PEG 5000 MME, 0.1M MES, 0.2M Ammonium sulfate, 10% glycerol