9O5M

Prenylated-FMN maturase PhdC from Mycolicibacterium fortuitum bound to prenylated flavin mononucleotide in the P1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	53.552, 60.190, 65.053
Unit cell angles	69.95, 85.03, 65.41

Refinement procedure

Resolution	51.499 - 1.620
Rwork	0.168
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.150
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.500	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.040	0.181
Rmeas	0.047	0.210
Rpim	0.024	0.106
Number of reflections	75219	2192
<I/σ(I)>	18.8	5.9
Completeness [%]	85.4	50.5
Redundancy	3.8	3.9
CC(1/2)	0.999	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	1:2 condition (100 mM citric acid/NaOH pH 5.0, 20% w/v PEG 6K) to buffer (20 mM BisTris pH 7.2 200 mM KCl). Protein reconstituted with prFMN