5W5R

Agrobacterium tumefaciens ADP-glucose pyrophosphorylase P96A mutant bound to activator pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	77
Detector technology	CCD
Collection date	2015-03-15
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	93.400, 140.993, 228.209
Unit cell angles	72.00, 78.18, 90.01

Refinement procedure

Resolution	46.884 - 1.754
R-factor	0.2022
Rwork	0.201
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.801
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	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.066	0.031	0.547
Rmeas	0.093	0.044	0.772
Rpim	0.066	0.031	0.544
Total number of observations	2012923
Number of reflections	1029422
<I/σ(I)>	8.4
Completeness [%]	95.4	85.9	95.8
Redundancy	2	1.9	2
CC(1/2)		0.995	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	50 mM Hepes, 1.5 M lithium sulfate at pH 7.5