8UIU

Structure of an FMO from Bacillus niacini

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	183
Detector technology	PIXEL
Collection date	2022-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	C 1 2 1
Unit cell lengths	359.668, 51.584, 102.669
Unit cell angles	90.00, 90.77, 90.00

Refinement procedure

Resolution	68.090 - 3.140
R-factor	0.2477
Rwork	0.246
R-free	0.27800
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.057
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXCD
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.090	3.252
High resolution limit [Å]	3.140	3.140
Rmerge	0.115	2.449
Number of reflections	33392	3261
<I/σ(I)>	16.59
Completeness [%]	98.9
Redundancy	13.8
CC(1/2)	0.998	0.377

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.5 M imidazole (pH 6.2-6.5) and 10-12% PEG 3350