5LTU

Crystal Structure of NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-15
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.92819
Spacegroup name	C 1 2 1
Unit cell lengths	135.710, 41.030, 74.320
Unit cell angles	90.00, 122.55, 90.00

Refinement procedure

Resolution	61.997 - 2.230
R-factor	0.2173
Rwork	0.215
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2duk
RMSD bond length	0.003
RMSD bond angle	0.942
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1682)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.000	2.290
High resolution limit [Å]	2.230	2.230
Rmerge	0.097	1.051
Number of reflections	17028
<I/σ(I)>	12.8	1.7
Completeness [%]	98.7	99.4
Redundancy	7.5	6.7
CC(1/2)		0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	2M Ammonium Sulphate, 0.1M Tris pH 8.5