6NFP

1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	81.414, 143.989, 85.515
Unit cell angles	90.00, 109.35, 90.00

Refinement procedure

Resolution	29.990 - 1.700
R-factor	0.1408
Rwork	0.139
R-free	0.16646
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cev
RMSD bond length	0.006
RMSD bond angle	1.373
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.061	0.779
Rmeas	0.069	0.887
Rpim	0.032	0.421
Number of reflections	191464	9654
<I/σ(I)>	20.3	2.2
Completeness [%]	94.5	95.3
Redundancy	4.4	4.4
CC(1/2)		0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	Protein: 40.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5, Screen: 0.2M Magnesium chloride,0.1M Tris-HCL pH 8.5, 17% (w/v) PEG 3350