7EUQ

Crystal structure of C86H-Y124N-G126H-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	2020-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9000
Spacegroup name	P 1
Unit cell lengths	42.491, 49.755, 60.515
Unit cell angles	89.97, 72.20, 89.91

Refinement procedure

Resolution	39.260 - 1.800
R-factor	0.1828
Rwork	0.181
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eul
RMSD bond length	0.009
RMSD bond angle	1.520
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.460	40.460	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.096	0.053	0.664
Rmeas	0.114	0.062	0.799
Rpim	0.061	0.032	0.440
Total number of observations	137451	1181	7765
Number of reflections	42444	336	2543
<I/σ(I)>	6.6	11.9	2.3
Completeness [%]	96.9	96.6	96.1
Redundancy	3.2	3.5	3.1
CC(1/2)	0.993	0.995	0.825

Crystallization Conditions

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