3SL1

Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-methylhexanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	H 3 2
Unit cell lengths	113.181, 113.181, 229.616
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.273 - 1.902
R-factor	0.1638
Rwork	0.163
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mmr
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.090	0.444
Number of reflections	44684
<I/σ(I)>	23.6	3.4
Completeness [%]	99.9	99.2
Redundancy	9.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	1.2 M Na/K Phosphate (pH 8.0), VAPOR DIFFUSION, SITTING DROP, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	8	294	1.2 M Na/K Phosphate (pH 8.0), VAPOR DIFFUSION, SITTING DROP, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	8	294	1.2 M Na/K Phosphate (pH 8.0), VAPOR DIFFUSION, SITTING DROP, temperature 294K