4M2A

Crystal structure of the udp-glucose pyrophosphorylase from Leishmania major in the post-reactive state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-31
Detector	MAR CCD 165 mm
Wavelength(s)	0.8055
Spacegroup name	C 2 2 21
Unit cell lengths	79.790, 89.090, 136.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 1.660
R-factor	0.19
Rwork	0.190
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oeg
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	CCP4
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.600
High resolution limit [Å]	1.660
Rmerge	0.068
Number of reflections	57313
<I/σ(I)>	28.78
Completeness [%]	99.7
Redundancy	14.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6		0.1M BIS-TRIS, 22% W/V PEG-MME- 2000, 20MM (NH4)2SO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP