9IXF

Crystal structure of Manganese-free N(omega)-hydroxy-L-arginine hydrolase with oxidized Cys86.

Replaces:  8IUV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 1
Unit cell lengths	45.876, 46.683, 58.222
Unit cell angles	85.39, 86.78, 70.54

Refinement procedure

Resolution	43.920 - 1.750
R-factor	0.16
Rwork	0.158
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.885
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.920	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.078	0.351
Rmeas	0.092	0.413
Rpim	0.048	0.217
Total number of observations	158923	8413
Number of reflections	44308	2372
<I/σ(I)>	9.8	3.1
Completeness [%]	96.8
Redundancy	3.6	3.5
CC(1/2)	0.994	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	298	PEG 4000, MgCl2