5L6V

Crystal structure of E. coli ADP-glucose pyrophosphorylase (AGPase) in complex with a negative allosteric regulator adenosine monophosphate (AMP) - AGPase*AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	166.883, 148.193, 180.164
Unit cell angles	90.00, 115.48, 90.00

Refinement procedure

Resolution	45.271 - 2.667
R-factor	0.24
Rwork	0.239
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yp2
RMSD bond length	0.003
RMSD bond angle	0.591
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]	45.271	2.762
High resolution limit [Å]	2.667	2.667
Rmerge	0.200	0.783
Number of reflections	224803
<I/σ(I)>	5.69	1.74
Completeness [%]	100.0	100
Redundancy	3.2	3.2
CC(1/2)	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	10mM EDTA, 10% D-(+)-Sucrose, 50mM MgCl2, 5mM ADP, 16% (w/v) PEG 10000, 100mM Imidazole pH 7.00