5NZK

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

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	72.655, 107.381, 151.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.081 - 2.450
R-factor	0.1957
Rwork	0.194
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oef
RMSD bond length	0.014
RMSD bond angle	1.017
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]	2.450
Number of reflections	22170
<I/σ(I)>	17.27	2.28
Completeness [%]	100.0	100
Redundancy	12.99

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