7NR6

Structure of NUDT15 in complex with NSC56456

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	46.843, 49.032, 135.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.690 - 1.800
R-factor	0.1882
Rwork	0.187
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bon
RMSD bond length	0.006
RMSD bond angle	0.822
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]	67.690	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.079	0.919
Rmeas	0.086	0.993
Rpim	0.033	0.371
Number of reflections	29634	1714
<I/σ(I)>	12.7
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Tris pH 8.5, 0.2M sodium acetate, 30% PEG 4000