3MGM

Crystal structure of human NUDT16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	44.412, 79.153, 97.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.355 - 1.801
R-factor	0.1847
Rwork	0.184
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u20
RMSD bond length	0.004
RMSD bond angle	0.862
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.042	0.323
Number of reflections	32018
<I/σ(I)>	39.8	7.75
Completeness [%]	98.2	96.7
Redundancy	7.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1M imidazole, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K