6C8Z

Last common ancestor of ADP-dependent phosphofructokinases from Methanosarcinales

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)	1.458690
Spacegroup name	C 1 2 1
Unit cell lengths	81.081, 75.986, 82.442
Unit cell angles	90.00, 94.92, 90.00

Refinement procedure

Resolution	37.990 - 2.860
R-factor	0.200253674607
Rwork	0.198
R-free	0.23865
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k27
RMSD bond length	0.010
RMSD bond angle	1.240
Data reduction software	XDS (Nov 11, 2017)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.990	2.960
High resolution limit [Å]	2.860	2.860
Rmerge	0.131	1.094
Rpim	0.055	0.463
Number of reflections	11662	1156
<I/σ(I)>	10.06	1.78
Completeness [%]	99.7	99.74
Redundancy	6.6	6.5
CC(1/2)	0.996	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	292	CdCl2 0.02M, MgCl2 0.02M, NiCl2 (II) 0.02M, PEG MME 2000 24% P/V, Sodium Acetate 0.1M pH 4,5