7EM2

Crystal structure of the PI5P4Kbeta-XTP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-11-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	109.848, 185.138, 105.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.103 - 2.600
R-factor	0.2215
Rwork	0.220
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x04
RMSD bond length	0.009
RMSD bond angle	1.200
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]	70.470	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.034	0.929
Number of reflections	33540	4827
<I/σ(I)>	39.97	2.88
Completeness [%]	99.9	99.9
Redundancy	8.7	9

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