5NZI

Crystal structure of UDP-glucose pyrophosphorylase S374F mutant from Leishmania major in complex with UDP-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	C 2 2 21
Unit cell lengths	79.390, 88.180, 137.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.756 - 2.050
R-factor	0.1909
Rwork	0.188
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2m2a
RMSD bond length	0.013
RMSD bond angle	1.225
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	2.150
High resolution limit [Å]	2.050	2.050
Number of reflections	30193
<I/σ(I)>	10.49	2.24
Completeness [%]	98.5	97.7
Redundancy	13.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	24% PEG 3350, 100 mM Bis-Tris pH 6.8, 0.2 M Li2SO4, 2 mM DTT