4Q3P

Crystal structure of Schistosoma mansoni 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	2012-07-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 3
Unit cell lengths	178.384, 178.384, 178.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.475 - 2.501
R-factor	0.179
Rwork	0.177
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pha
RMSD bond length	0.003
RMSD bond angle	0.749
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.167	0.084	0.834
Number of reflections	65315
<I/σ(I)>	13.7	35.9	2.1
Completeness [%]	99.9	100	99.6
Redundancy	7.2	8.3	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	12% w/v PEG20000, 0.1 M imidazole, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K