5L2R

Crystal structure of fumarate hydratase from Leishmania major

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	2012-07-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	65.675, 85.128, 241.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	120.738 - 2.054
R-factor	0.1451
Rwork	0.144
R-free	0.17730
RMSD bond length	0.010
RMSD bond angle	1.066
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.114	0.410
Number of reflections	83691
<I/σ(I)>	16.5	2.8
Completeness [%]	98.1	97.9
Redundancy	5.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3350 and tacsimate pH5