6UPM

Crystal structure of T467A variant of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	65.616, 84.718, 239.669
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.919 - 2.030
R-factor	0.1581
Rwork	0.156
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l2r
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.030	2.030
Number of reflections	87005	87005
<I/σ(I)>	7.7
Completeness [%]	99.6
Redundancy	5.5
CC(1/2)	0.445	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	293	12% v/v PEG3350, 10 mM ammonium citrate tribasic, 16 mM sodium acetate trihydrate, 20 mM sodium formate, 6.4 mM ammonium tartrate dibasic, 12 mM S-Malate