9ZSC

Flavophos biosynthetic enzyme BsfD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-04
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	53.469, 120.238, 121.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.720
R-factor	0.18229
Rwork	0.181
R-free	0.19927
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.500	1.746
High resolution limit [Å]	1.720	1.720
Rmerge	0.072	1.038
Rmeas	0.076	1.089
Number of reflections	42079	2048
<I/σ(I)>	23.3	2.1
Completeness [%]	97.8
Redundancy	14.1
CC(1/2)	0.998	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	1.6 M lithium sulfate 100 mM Tris HCl, pH=8.5