9DFU

X-ray crystal structure of the second Viperin-like enzyme from T. virens variant F40H 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)	0.9201
Spacegroup name	P 21 21 21
Unit cell lengths	37.137, 55.959, 152.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.660 - 2.300
R-factor	0.2278
Rwork	0.226
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.686
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.400	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.217	0.799
Rmeas	0.268	0.976
Rpim	0.154	0.553
Number of reflections	14839	1427
<I/σ(I)>	5.3	2
Completeness [%]	99.7
Redundancy	5.1
CC(1/2)	0.979	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M HEPES (pH 7.5), 25% (w/v) PEG 3350