7R3A

Crystal structure of S-adenosyl-L-homocysteine hydrolase from Methanococcus maripaludis in complex with inosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	65.775, 328.867, 85.094
Unit cell angles	90.00, 107.23, 90.00

Refinement procedure

Resolution	47.860 - 2.530
R-factor	0.1909
Rwork	0.188
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v8b
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.760	2.670
High resolution limit [Å]	2.530	2.530
Rmerge	0.190
Number of reflections	111512	16348
<I/σ(I)>	5.9
Completeness [%]	97.5
Redundancy	3.6
CC(1/2)	0.980	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	28% (w/v) PEG 3350,100 mM MMT buffer pH 8.0