6UQN

Crystal structure of R173A variant of cytosolic fumarate hydratase from Leishmania major in a complex with fumarate and 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	2015-08-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	65.148, 85.415, 240.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.196 - 3.298
R-factor	0.2083
Rwork	0.205
R-free	0.26300
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	3.360
High resolution limit [Å]	3.298	3.300
Number of reflections	20385	20385
<I/σ(I)>	4.5
Completeness [%]	96.7
Redundancy	3.6
CC(1/2)	0.335	0.335

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 fumarate