6FJK

Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-09-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9173
Spacegroup name	P 1
Unit cell lengths	59.810, 60.340, 83.980
Unit cell angles	88.53, 89.18, 63.36

Refinement procedure

Resolution	83.952 - 2.025
R-factor	0.1803
Rwork	0.178
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xam
RMSD bond length	0.007
RMSD bond angle	0.961
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.952	83.952	2.080
High resolution limit [Å]	2.025	9.060	2.025
Rmerge		0.054	0.219
Rmeas	0.099	0.045	0.584
Rpim	0.070	0.032	0.413
Number of reflections	61224	745	4591
<I/σ(I)>	6.9	12.4	3.5
Completeness [%]	89.6	97.7	89.9
Redundancy	1.9	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	18 % PEG 3350, 0.1 M bis-tris propane pH 6.5, 2 mM MgCl2, 25% EG or 35% PEG 3350, 0.1 M bis-tris propane pH 6.5, 2 mM MgCl2