7AOM

Structure of NUDT15 in complex with Ganciclovir triphosphate

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	2019-03-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	46.243, 49.532, 135.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.500 - 1.950
R-factor	0.2047
Rwork	0.204
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lpg
RMSD bond length	0.016
RMSD bond angle	1.088
Data reduction software	DIALS (3.0.0)
Data scaling software	DIALS (3.0.0)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.022
High resolution limit [Å]	1.950	1.950
Rmerge	0.173	0.725
Rmeas	0.181	0.755
Number of reflections	23223	2217
<I/σ(I)>	7.66	0.75
Completeness [%]	99.5	96.89
Redundancy	12.8	13.6
CC(1/2)	0.972	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M Tris pH 8.5, 0.2M sodium acetate, 34% PEG 4000