3X0C

Crystal structure of PIP4KIIBETA I368A 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	2012-12-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	109.102, 183.392, 106.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.550 - 2.550
R-factor	0.225
Rwork	0.223
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wzz
RMSD bond length	0.011
RMSD bond angle	1.146
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]	93.760	2.690
High resolution limit [Å]	2.550	2.550
Number of reflections	34600
Completeness [%]	98.3	99

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, 8-14%(V/V) PEG4000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K