7B67

Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.96852
Spacegroup name	P 1 21 1
Unit cell lengths	63.431, 45.710, 66.339
Unit cell angles	90.00, 115.10, 90.00

Refinement procedure

Resolution	60.073 - 1.450
Rwork	0.167
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lpg
RMSD bond length	0.015
RMSD bond angle	1.863
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]	60.073	1.470
High resolution limit [Å]	1.450	1.450
Number of reflections	61265	3026
<I/σ(I)>	24.7
Completeness [%]	100.0
Redundancy	31.5
CC(1/2)	1.000	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.09 M SPG pH 5.0, 22.25% PEG 1500, 0.01 M sodium phosphate, 2.75% 1,2 propandiol, 1.0% glycerol