5L6S

Crystal structure of E. coli ADP-glucose pyrophosphorylase (AGPase) in complex with a positive allosteric regulator beta-fructose-1,6-diphosphate (FBP) - AGPase*FBP

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	2014-08-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92000
Spacegroup name	P 1 21 1
Unit cell lengths	161.160, 148.900, 177.490
Unit cell angles	90.00, 113.10, 90.00

Refinement procedure

Resolution	70.745 - 3.040
R-factor	0.2354
Rwork	0.234
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yp2
RMSD bond length	0.002
RMSD bond angle	0.488
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2219: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.290	3.150
High resolution limit [Å]	3.040	3.040
Rmerge	0.084	0.945
Number of reflections	146158
<I/σ(I)>	16.75	1.93
Completeness [%]	99.0	98
Redundancy	7	6.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	3.60 mM FBP, 2.85mM MgCl2, 20mM HEPES pH=8.0, 100mM NaCl, 22% PEG 4000, 100mM Sodium acetate, 200 mM Ammonium sulfate