6PCL

Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 5-IP7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	45.560, 59.576, 62.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.600 - 1.300
R-factor	0.1437
Rwork	0.143
R-free	0.16090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q9p
RMSD bond length	0.011
RMSD bond angle	1.374
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.4_6))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.600	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	40069	1363
<I/σ(I)>	58.2
Completeness [%]	93.7
Redundancy	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	290.15	12 - 18% PEG 8000, 150 - 300 mM LiSO4, 0.1 M sodium acetate, pH 4.6