7EUN

Crystal structure of N(omega)-hydroxy-L-arginine hydrolase in complex with ABH

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)	0.9000
Spacegroup name	P 1
Unit cell lengths	46.577, 47.208, 59.641
Unit cell angles	83.54, 84.44, 70.20

Refinement procedure

Resolution	44.260 - 1.280
R-factor	0.1161
Rwork	0.115
R-free	0.13830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 6LUH
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.260	44.260	1.300
High resolution limit [Å]	1.280	7.010	1.280
Rmerge	0.073	0.067	0.352
Rmeas	0.085	0.079	0.413
Rpim	0.044	0.042	0.214
Total number of observations	428211	2632	21122
Number of reflections	116740	725	5677
<I/σ(I)>	10.9	18.1	4.2
Completeness [%]	95.5	97.3	93.6
Redundancy	3.7	3.6	3.7
CC(1/2)	0.994	0.977	0.906

Crystallization Conditions

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