8ACS

Crystal structure of FMO from Janthinobacterium svalbardensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.34024
Spacegroup name	P 21 21 2
Unit cell lengths	142.302, 316.361, 65.647
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.440 - 2.500
R-factor	0.1844
Rwork	0.182
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF-Model
RMSD bond length	0.009
RMSD bond angle	1.056
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.591
High resolution limit [Å]	2.500	2.500
Rmerge	0.095	0.771
Rmeas	0.098	0.801
Rpim	0.026	0.214
Number of reflections	92245	10156
<I/σ(I)>	20.01
Completeness [%]	89.0	99.3
Redundancy	13.5	13.5
CC(1/2)	0.999	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	Crystallophore LuXo4, 14% PEG 8000, 17.5% Glycerol, 100 mM BIS-TRIS buffer (pH 6.5).