4HXQ

Crystal structure of human Arginase-1 complexed with inhibitor 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.70849
Spacegroup name	P 3
Unit cell lengths	90.321, 90.321, 69.534
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.110 - 1.450
R-factor	0.1941
Rwork	0.188
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d3v
RMSD bond length	0.009
RMSD bond angle	1.347
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.053	0.028	0.469
Number of reflections	111989
<I/σ(I)>	9.3
Completeness [%]	99.5	99.9	98.5
Redundancy	4.9	5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	100 mM Malonic Acid, Imidazol, Boric system, 25% Polyethylene Glycol (PEG) 1500, vapor diffusion, hanging drop, temperature 277K