9NK2

Prenylated-FMN maturase PhdC from Mycolicibacterium fortuitum bound to prenylated flavin mononucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-09
Detector	DECTRIS EIGER2 XE CdTe 16M
Wavelength(s)	0.976
Spacegroup name	I 2 2 2
Unit cell lengths	60.192, 75.070, 80.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.604 - 1.810
Rwork	0.156
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.833
Data reduction software	DIALS
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]	30.510	1.850
High resolution limit [Å]	1.810	1.810
Rmerge	0.080	0.741
Rmeas	0.086	0.804
Rpim	0.025	0.300
Number of reflections	16947	1001
<I/σ(I)>	14.4	2.3
Completeness [%]	99.9	98.7
Redundancy	10.9	6.4
CC(1/2)	0.999	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	1:1 crystallization condition (100 mM Citric acid/NaOH pH 5, 20% (w/v) PEG 6K) to protein (20mM bistris pH 7.2, 200mM KCl, reconstituted with prFMN)