6SEK

Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	96.782, 100.069, 143.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.700
R-factor	0.22586
Rwork	0.222
R-free	0.29453
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.900	2.820
High resolution limit [Å]	2.700	2.700
Rmerge	0.110
Number of reflections	38832	4655
<I/σ(I)>	9.9	0.8
Completeness [%]	99.8	99.9
Redundancy	6.6	6.9
CC(1/2)	0.999	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	PEG 4000 HEPES