5ZEF

Crystal structure of Entamoeba histolytica Arginase in complex with L- Norvaline at 2.01 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-02
Detector	DECTRIS PILATUS3 X 1M
Wavelength(s)	0.976251
Spacegroup name	I 21 21 21
Unit cell lengths	87.947, 98.358, 135.329
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 2.010
R-factor	0.18012
Rwork	0.179
R-free	0.21034
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cev
RMSD bond length	0.012
RMSD bond angle	1.590
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	2.040
High resolution limit [Å]	2.010	2.010
Number of reflections	39225	1876
<I/σ(I)>	12.8	2.1
Completeness [%]	99.6	97.5
Redundancy	5.3
CC(1/2)	0.990	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293.15	0.1M bistris propane pH-6.2, 0.2M potassium thiocyanate, 20% Peg 6000