6UQB

Crystal structure of R471A variant of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate and 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	2015-06-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	65.462, 84.943, 240.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.043 - 1.951
R-factor	0.145
Rwork	0.143
R-free	0.17420
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]	1.950	1.950
Number of reflections	98175	98175
<I/σ(I)>	16
Completeness [%]	99.9
Redundancy	9.1
CC(1/2)	0.815	0.815

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