9NK4

Prenylated-FMN maturase PhdC E45A mutant from Mycolicibacterium fortuitum bound to 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	2024-10-25
Detector	DECTRIS EIGER2 XE CdTe 16M
Wavelength(s)	0.689
Spacegroup name	I 2 2 2
Unit cell lengths	60.003, 76.007, 80.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.512 - 1.270
Rwork	0.129
R-free	0.14920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.972
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]	30.520	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.082	0.828
Rmeas	0.086	0.940
Rpim	0.026	0.423
Number of reflections	47805	2010
<I/σ(I)>	15	2.9
Completeness [%]	98.3	84.7
Redundancy	10.3
CC(1/2)	0.998	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1:1 crystallization condition (0.2M ammonium acetate, 0.1M HEPES/NaOH pH 7.5, 45% v/v MPD) to buffer (20 mM BisTris pH 7.2 200 mM)