6SCX

Crystal structure of the catalytic domain of human NUDT12 in complex with 7-methyl-guanosine-5'-triphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0077
Spacegroup name	H 3 2
Unit cell lengths	229.859, 229.859, 159.012
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	114.930 - 2.920
R-factor	0.233
Rwork	0.232
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o3p
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	pointless (1.11.21)
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.930	3.200
High resolution limit [Å]	2.900	2.900
Rmerge	0.117	1.470
Rmeas	0.124	1.560
Rpim	0.039	0.510
Number of reflections	21142	1057
<I/σ(I)>	11.6	1.8
Completeness [%]	95.8	88.1
Redundancy	10.1	9.4
CC(1/2)	0.998	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.3	293	20% (w/v) PEG 3350 0.2M potassium citrate tribasic monohydrate 0.02M CdCl(2) 0.02M m7GTP