8QNO

Crystal structure of S-adenosyl-L-homocysteine hydrolase treated at 368 K from Pyrococcus furiosus 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	2023-09-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.28022
Spacegroup name	P 42 21 2
Unit cell lengths	111.714, 111.714, 122.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.308 - 2.033
Rwork	0.155
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.425
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	2.106
High resolution limit [Å]	2.033	2.033
Rmerge	0.237
Rpim	0.047
Number of reflections	50113	4818
<I/σ(I)>	15.36
Completeness [%]	99.7
Redundancy	26.8
CC(1/2)	0.990	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	Before crystallization, enzyme was heat treated at 95 degree celsius (or 368 Kelvin). 26% (w/v) PEG 1500 with 100 mM MMT, pH 8.0