6CMW

Crystal structure of zebrafish Phosphatidylinositol-4-phosphate 5- kinase alpha isoform with bound ATP/Ca2+

Replaces:  5C3V

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	2014-10-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.078
Spacegroup name	P 43 21 2
Unit cell lengths	88.590, 88.590, 157.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.978 - 3.150
R-factor	0.2133
Rwork	0.208
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tz7
RMSD bond length	0.010
RMSD bond angle	1.369
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.260
High resolution limit [Å]	3.150	6.780	3.150
Rmerge	0.103	0.046	0.893
Rmeas	0.105	0.047	0.909
Rpim	0.020	0.009	0.168
Total number of observations	323007
Number of reflections	11470	1279	1098
<I/σ(I)>	8.2
Completeness [%]	100.0	99.9	100
Redundancy	28.2	24.7	29
CC(1/2)		1.000	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	10 mg/ml protein with 2 mM ATP and 10 mM MgCl2, mixed with 14% PEG8000, 100 mM sodium cacodylate, pH 6.5, 160 mM calcium acetate and 20% glycerol