5W6X

Crystal structure of the HsNUDT16 in complex with Mg+2 and ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	113.755, 46.319, 74.238
Unit cell angles	90.00, 107.65, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.1834
Rwork	0.181
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid XX
RMSD bond length	0.015
RMSD bond angle	1.867
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.076	0.054	0.214
Total number of observations	64178
Number of reflections	20264
<I/σ(I)>	14.4
Completeness [%]	92.5	97.5	59.1
Redundancy	3.2	3.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	293	PEG 8000, CHES