3X06

Crystal structure of PIP4KIIBETA T201M 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	2013-01-20
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	108.825, 182.878, 106.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.410 - 2.650
R-factor	0.214
Rwork	0.212
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wzz
RMSD bond length	0.011
RMSD bond angle	1.112
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]	91.440	2.790
High resolution limit [Å]	2.650	2.650
Number of reflections	30962
Completeness [%]	99.0	99.5

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