6V99

Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase- S72D in the presence of sulfate

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)	0.9787
Spacegroup name	P 1
Unit cell lengths	93.416, 141.581, 228.316
Unit cell angles	108.07, 101.85, 90.00

Refinement procedure

Resolution	72.700 - 2.287
R-factor	0.2107
Rwork	0.208
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6j
RMSD bond length	0.008
RMSD bond angle	0.940
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]	72.740	6.210
High resolution limit [Å]	2.280	2.280
Rmeas	0.093
Rpim	0.066
Number of reflections	478212	22545
<I/σ(I)>	5.6
Completeness [%]	98.1
Redundancy	2
CC(1/2)		0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	Lithium sulfate, Tris, PEG 400