4Q41

Crystal structure of Schistosoma mansoni arginase in complex with L-lysine

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	2012-10-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 3
Unit cell lengths	177.448, 177.448, 177.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.215 - 2.199
R-factor	0.1733
Rwork	0.172
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q3p
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.199	4.740	2.199
Rmerge	0.123	0.073	0.667
Number of reflections	94329
<I/σ(I)>	13.5	18.1	3.5
Completeness [%]	100.0	99.8	100
Redundancy	7	6.8	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	crystal soaked in 50 mM L-lysine, 0.1 M imidazole, pH 7.0, 14% PEG20000, VAPOR DIFFUSION, SITTING DROP, temperature 277K