8IUS

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

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)	0.9
Spacegroup name	P 1
Unit cell lengths	45.872, 46.756, 58.139
Unit cell angles	84.98, 86.40, 70.57

Refinement procedure

Resolution	35.250 - 2.140
R-factor	0.161
Rwork	0.158
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.962
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.980	2.200
High resolution limit [Å]	2.140	2.140
Rmerge	0.041	0.105
Rmeas	0.058	0.149
Rpim	0.041	0.105
Total number of observations	44917	3828
Number of reflections	24286	2000
<I/σ(I)>	5.3	2
Completeness [%]	97.0
Redundancy	1.8	1.9
CC(1/2)	0.995	0.966

Crystallization Conditions

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