7EUL

Crystal structure of C86H-H196S mutant of N(omega)-hydroxy-L-arginine hydrolase

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	2020-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	42.499, 50.343, 52.941
Unit cell angles	90.00, 99.42, 90.00

Refinement procedure

Resolution	41.930 - 1.450
R-factor	0.1702
Rwork	0.169
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6luh
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.930	41.930	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.062	0.052	0.381
Rmeas	0.070	0.060	0.430
Rpim	0.032	0.028	0.195
Total number of observations	181105	1147	9071
Number of reflections	39175	267	1932
<I/σ(I)>	13	25.2	3.1
Completeness [%]	99.9	99.4	99.8
Redundancy	4.6	4.3	4.7
CC(1/2)	0.996	0.989	0.908

Crystallization Conditions

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