6UP9

Crystal structure of T467A variant of cytosolic fumarate hydratase from Leishmania major in a complex with malonate

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	65.653, 84.937, 240.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.034 - 1.949
R-factor	0.1592
Rwork	0.157
R-free	0.19360
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	1.980
High resolution limit [Å]	1.949	1.950
Number of reflections	97272	97272
<I/σ(I)>	9.3
Completeness [%]	98.5
Redundancy	3.5
CC(1/2)	0.453	0.453

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, 73.2 mM malonate, 12 mM RS-Malate, 4.8 mM succinate