6V96

Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase-S72E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-06
Detector	RAYONIX MX300HE
Wavelength(s)	0.978
Spacegroup name	P 1
Unit cell lengths	93.607, 141.187, 229.427
Unit cell angles	107.93, 101.72, 89.97

Refinement procedure

Resolution	37.390 - 1.800
R-factor	0.195
Rwork	0.193
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6j
RMSD bond length	0.011
RMSD bond angle	1.089
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.400	1.830
High resolution limit [Å]	1.790	1.790
Rmeas	0.060
Rpim	0.042
Number of reflections	776640	41416
<I/σ(I)>	1
Completeness [%]	82.0
Redundancy	1.5
CC(1/2)		0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	Sodium citrate, imidazole