7B7V

Structure of NUDT15 in complex with Acyclovir monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00002
Spacegroup name	P 21 21 21
Unit cell lengths	46.643, 49.120, 135.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.090 - 1.600
R-factor	0.1893
Rwork	0.188
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lpg
RMSD bond length	0.013
RMSD bond angle	1.452
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.090	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	41732	2014
<I/σ(I)>	12.5
Completeness [%]	99.7
Redundancy	7
CC(1/2)	0.998	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M Tris pH 8.5, 0.2 M MgCl2, 34% PEG 4000 in a 1:2 ratio