4IE1

Crystal structure of human Arginase-1 complexed with inhibitor 1h

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-17
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 3
Unit cell lengths	90.074, 90.074, 69.272
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.635 - 2.001
R-factor	0.1079
Rwork	0.106
R-free	0.12700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d3v
RMSD bond length	0.014
RMSD bond angle	1.740
Data reduction software	DENZO
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.076	0.039	0.270
Number of reflections	41127
<I/σ(I)>	10.5
Completeness [%]	94.6	96.4	92.5
Redundancy	1.9	1.9	1.9

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