6XIO

ADP-dependent kinase complex with fructose-6-phosphate and ADPbetaS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45867
Spacegroup name	P 21 21 21
Unit cell lengths	67.574, 79.589, 108.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.850 - 3.120
R-factor	0.2426
Rwork	0.241
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c8z
RMSD bond length	0.004
RMSD bond angle	0.742
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.850	3.230
High resolution limit [Å]	3.120	3.120
Rmerge	0.151	0.841
Rmeas	0.157	0.879
Rpim	0.045	0.253
Number of reflections	10902	1053
<I/σ(I)>	16.5	3.02
Completeness [%]	98.3	99.53
Redundancy	12.4	12.1
CC(1/2)	0.996	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	292	Protein Condition: F6P 6 mM, mM ADPbs 2.4 mM, MgCl2 7.4 mM , HEPES 25 mM pH 7.8, NaCl 200 mM and 2-mercaptoethanol 1 mM; Reservoir Condition: PEG 20,000 8.4% w/V, MgCl2 0.2M, Sodium citrate 0.1M pH 4.5