3X02

Crystal structure of PIP4KIIBETA complex with GMP

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	CCD
Collection date	2012-03-11
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	108.753, 183.189, 106.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.760 - 2.450
R-factor	0.226
Rwork	0.224
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wzz
RMSD bond length	0.009
RMSD bond angle	1.223
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	2.640
High resolution limit [Å]	2.450	2.500
Number of reflections	39252
Completeness [%]	99.2	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	100MM NA-CITRATE, 10MM MG-ACETATE, 100MM LI-ACETATE CONTAINING 8-14%(V/V) PEG4000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K