21TS

prenylated FMN synthase from Methanosarcina mazei (MmPFS) in complexed with FMN and DMAP(P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2023-11-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	95.660, 95.731, 95.939
Unit cell angles	88.76, 77.76, 61.69

Refinement procedure

Resolution	48.196 - 1.680
Rwork	0.195
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.637
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.061
Number of reflections	323199	15695
<I/σ(I)>	24.1
Completeness [%]	97.2
Redundancy	9.6
CC(1/2)	0.999	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES sodium pH7.5, 5% 2-propanol, 10% polyethylene glycol 4,000, 10% glycerol, 1mM DMAPP