7EM4

Crystal structure of the PI5P4Kbeta F205L-ITP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	109.311, 185.530, 105.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.935 - 2.800
R-factor	0.2193
Rwork	0.216
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k4h
RMSD bond length	0.009
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.550	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.062	0.890
Number of reflections	26836	3817
<I/σ(I)>	28.86	2.7
Completeness [%]	99.9	99.7
Redundancy	8.9	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	9%(w/v) PEG4000, 0.1 M sodium citrate pH 6.0, 0.1 M magnesium acetate, 0.1 M lithium acetate