9IQ9

Crystal structure of Copper-bound N(omega)-hydroxy-L-arginine hydrolase with reduced Cys86

Replaces:  8IUT

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	2022-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.3500
Spacegroup name	P 1
Unit cell lengths	46.502, 46.981, 59.559
Unit cell angles	83.57, 84.69, 70.09

Refinement procedure

Resolution	43.650 - 1.580
R-factor	0.1806
Rwork	0.179
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.806
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]	43.650	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.067	0.475
Rmeas	0.090	0.648
Rpim	0.061	0.439
Total number of observations	122601	5828
Number of reflections	59923	2774
<I/σ(I)>	6.2	1.9
Completeness [%]	93.0
Redundancy	2	2.1
CC(1/2)	0.988	0.648

Crystallization Conditions

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