9FCF

Medicago truncatula 5'-ProFAR isomerase (HISN3) D57N mutant in complex with ProFAR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 4
Unit cell lengths	91.301, 91.301, 35.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.280 - 2.360
R-factor	0.2265
Rwork	0.224
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.500
High resolution limit [Å]	2.360	2.360
Rmerge	0.150	0.959
Rmeas	0.160	1.024
Number of reflections	12535	1978
<I/σ(I)>	10.74	2.16
Completeness [%]	99.9
Redundancy	8.2
CC(1/2)	0.996	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.2 M sodium acetate, 0.1 M sodium cacodylate pH 6.5, 15% PEG 8000