6E7F

Crystal Structure of Human Inositol Polyphosphate Multikinase (IPMK) Catalytic Core Domain

Replaces:  6C8A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-30
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	95.660, 109.360, 73.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.890 - 2.500
R-factor	0.2292
Rwork	0.227
R-free	0.28030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2if8
RMSD bond length	0.010
RMSD bond angle	1.154
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.890	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.080	0.328
Rmeas	0.087	0.362
Rpim	0.034	0.150
Number of reflections	27377	2694
<I/σ(I)>	18.76	4.25
Completeness [%]	100.0	99.99
Redundancy	6.4	5.3
CC(1/2)	0.998	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M sodium citrate, pH 3.5, 0.8 M (NH4)2 SO4, 1 mM AMPPNP, 1 mM MnCl2, 0.73 mM Inositol (1,3,4,6)tetra phosphate (IP4)