8TG2

The crystal structure of the post-reactive state of UDP-sugar pyrophosphorylase from Leishmania major in complex with products UDP-Glucose and PPi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	107.090, 121.900, 60.960
Unit cell angles	90.00, 105.69, 90.00

Refinement procedure

Resolution	52.590 - 2.400
R-factor	0.20784
Rwork	0.206
R-free	0.23626
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.238
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.600	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.045	0.518
Number of reflections	29455	3375
<I/σ(I)>	19
Completeness [%]	100.0	99.9
Redundancy	6.92	6.67
CC(1/2)	0.999	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 mM ammonium acetate, 100 mM tri-sodium citrate, pH 5.4 - 5.6, and 15% - 17% polyethylene glycol-4000 (PEG-4000)