4ITY

Crystal structure of Leishmania mexicana arginase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	H 3
Unit cell lengths	89.520, 89.520, 115.079
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.144
Rwork	0.144
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iu0
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.087	0.525
Number of reflections	31710
<I/σ(I)>	16.91	2.775
Completeness [%]	99.8	100
Redundancy	4.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	3 uL protein solution (7.0 mg/mL delta-12-LmARG, 45 mM bicine, pH 8.5, 1.4 mM thymine, 90 uM manganese chloride, 4.5% v/v glycerol, 1.8 mM BME) + 3 uL precipitant solution (10% w/v PEG10000, 5% v/v MPD, 0.1 M HEPES, pH 7.3) equilibrated against 500 uL precipitant solution on a siliconized cover slide, VAPOR DIFFUSION, HANGING DROP, temperature 298K