7R37

Crystal structure of S-adenosyl-L-homocysteine hydrolase 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	2020-12-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	112.531, 112.531, 122.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.620 - 2.280
R-factor	0.164
Rwork	0.161
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5axa
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.620	2.410
High resolution limit [Å]	2.280	2.280
Rmerge	0.150
Number of reflections	36380	5179
<I/σ(I)>	9.8
Completeness [%]	99.8
Redundancy	12.7
CC(1/2)		0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	comprising 26% (w/v) PEG 1500 with 100 mM MMT, pH 8.0