4AXC

Inositol 1,3,4,5,6-pentakisphosphate 2-kinase apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-09
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	105.800, 68.230, 66.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.000 - 2.250
R-factor	0.24343
Rwork	0.242
R-free	0.27831
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xan
RMSD bond length	0.008
RMSD bond angle	1.700
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.440	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.070	0.520
Number of reflections	24181
<I/σ(I)>	15.4	3.8
Completeness [%]	99.6	100
Redundancy	7.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		0.2 M LITHIUM SULFATE 0.1 M TRIS HCL PH 8.0 AND 29%(W/V) PEG 4000