44XA

Crystal structure of the pyrophosphate-dependent phosphofructokinase from Promethearchaeum syntrophicum with fructose 6-phosphate

Replaces:  9CIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-30
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.95366
Spacegroup name	P 1 21 1
Unit cell lengths	85.210, 71.866, 136.530
Unit cell angles	90.00, 91.08, 90.00

Refinement procedure

Resolution	45.500 - 2.600
Rwork	0.242
R-free	0.27963
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.582
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.680
High resolution limit [Å]	2.500	2.600
Rmeas	0.148	1.587
Rpim	0.053	0.561
Number of reflections	51164	4438
<I/σ(I)>	9	1.9
Completeness [%]	100.0
Redundancy	7.6
CC(1/2)	0.996	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	1 M MMT pH 9.0, 20 - 30 % PEG 1500