5W5T

Agrobacterium tumefaciens ADP-Glucose Pyrophosphorylase bound to activator ethyl pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2016-04-15
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	93.781, 140.145, 228.855
Unit cell angles	107.81, 101.84, 90.06

Refinement procedure

Resolution	41.260 - 1.760
R-factor	0.166
Rwork	0.163
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.106
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.790
High resolution limit [Å]	1.760	4.780	1.760
Rmerge	0.050	0.023	0.618
Rmeas	0.068	0.031	0.833
Rpim	0.046	0.021	0.556
Total number of observations	2210333
Number of reflections	1035315
<I/σ(I)>	8.7
Completeness [%]	97.1	97.4	91.5
Redundancy	2.1	2.1	1.9
CC(1/2)		0.998	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	50mM HEPES pH7.5, 1.5M LiSO4