6V9A

Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase-S72D

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	92.231, 141.404, 228.648
Unit cell angles	108.00, 101.63, 90.02

Refinement procedure

Resolution	62.500 - 2.300
R-factor	0.2363
Rwork	0.234
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6j
RMSD bond length	0.005
RMSD bond angle	0.763
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]	77.260	5.540
High resolution limit [Å]	2.300	2.300
Rmeas	0.145
Rpim	0.083
Number of reflections	465495	33456
<I/σ(I)>	4
Completeness [%]	98.0
Redundancy	3
CC(1/2)		0.795

Crystallization Conditions

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