9IXC

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

Replaces:  8IUU

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	2022-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 1
Unit cell lengths	45.940, 46.743, 58.338
Unit cell angles	85.33, 86.91, 70.59

Refinement procedure

Resolution	35.220 - 1.260
R-factor	0.1658
Rwork	0.165
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.863
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]	43.990	1.280
High resolution limit [Å]	1.260	1.260
Rmerge	0.055	0.548
Rmeas	0.073	0.734
Rpim	0.047	0.485
Total number of observations	225171	5911
Number of reflections	110843	3037
<I/σ(I)>	6.1	2
Completeness [%]	89.9
Redundancy	2	1.9
CC(1/2)	0.995	0.538

Crystallization Conditions

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