6UQL

Crystal structure of R471A 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	2015-06-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	65.706, 84.797, 240.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.009 - 2.100
R-factor	0.148
Rwork	0.146
R-free	0.18340
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	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	78203	78203
<I/σ(I)>	9
Completeness [%]	98.6
Redundancy	6.5
CC(1/2)	0.742	0.742

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