7B64

Structure of NUDT15 V18I Mutant in complex with TH7755

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	2019-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97622
Spacegroup name	C 1 2 1
Unit cell lengths	115.538, 34.624, 75.170
Unit cell angles	90.00, 148.55, 90.00

Refinement procedure

Resolution	39.220 - 1.500
Rwork	0.180
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lpg
RMSD bond length	0.012
RMSD bond angle	1.739
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.220	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	25129	1235
<I/σ(I)>	8.6
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.994	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.12 M Monosaccharide mix (Morpheus Screen), 0.1 M Imidazole/MES pH 6.5, 20% PEG 500 MME, 20% PEG 2000