6CN3

Crystal structure of zebrafish Phosphatidylinositol-4-phosphate 5- kinase alpha isoform D236A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	CCD
Collection date	2014-10-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	89.327, 89.327, 156.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.948 - 3.351
R-factor	0.2324
Rwork	0.230
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tz7
RMSD bond length	0.010
RMSD bond angle	1.227
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.470
High resolution limit [Å]	3.350	7.200	3.350
Rmerge	0.114	0.049	0.848
Rmeas	0.119	0.052	0.879
Rpim	0.032	0.015	0.231
Total number of observations	135819
Number of reflections	9691	1085	936
<I/σ(I)>	6
Completeness [%]	100.0	99.9	100
Redundancy	14	12.4	14.3
CC(1/2)		0.999	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294.15	10 mg/ml protein, mixed with 0.1 M MES pH 6.5, 12% PEG 20000.