9HBM

Crystal structure of human NUDT14 in complex with a potent inhibitor (MA-955-10)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	59.420, 71.150, 111.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.390 - 1.830
R-factor	0.2454
Rwork	0.244
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.603
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.390	1.860
High resolution limit [Å]	1.830	1.830
Number of reflections	46786	41220
<I/σ(I)>	7.84
Completeness [%]	96.1
Redundancy	10.5
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Magnesium Chloride, 25% PEG3350, 0.1M Bis-Tris ph 5.5