9NK3

Prenylated-FMN maturase PhdC E45A mutant from Mycolicibacterium fortuitum (apo)

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	2024-10-11
Detector	DECTRIS EIGER2 XE CdTe 16M
Wavelength(s)	0.729
Spacegroup name	I 2 2 2
Unit cell lengths	59.801, 75.605, 80.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.134 - 1.320
Rwork	0.120
R-free	0.14560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.137
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.240	1.340
High resolution limit [Å]	1.320	1.320
Rmerge	0.059	0.441
Rmeas	0.063	0.521
Rpim	0.020	0.269
Number of reflections	36263	1091
<I/σ(I)>	18.8	2.5
Completeness [%]	83.9	50.7
Redundancy	8.6	3.4
CC(1/2)	0.999	0.767

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 KCl 1mM MnCl2).