9DFN

X-ray crystal structure of the second viperin-like enzyme from Trichoderma virens with bound CTP and SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.920105
Spacegroup name	P 21 21 21
Unit cell lengths	36.808, 57.838, 157.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.710 - 1.500
R-factor	0.17034
Rwork	0.169
R-free	0.19674
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.574
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.576	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.170	1.246
Rmeas	0.185	1.347
Rpim	0.072	0.509
Number of reflections	54980	5427
<I/σ(I)>	6.2	1.3
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)		0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M Bis-Tris (pH 6.5), 20% (w/v) PGG MME 5K