5NZL

Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with resveratrol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.87
Spacegroup name	C 2 2 21
Unit cell lengths	72.516, 108.455, 153.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.357 - 2.400
R-factor	0.2257
Rwork	0.224
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oef
RMSD bond length	0.003
RMSD bond angle	0.607
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	AMoRE
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Number of reflections	24020	2733
<I/σ(I)>	15.95	2.14
Completeness [%]	99.9	100
Redundancy	5.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	2.25 M ammonium sulfate, 100 mM Tris-HCl pH 7.2, 0.1% Tween 80