7R38

Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pyrococcus furiosus in complex with S-inosyl-L-homocysteine

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)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	111.683, 111.683, 121.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.400 - 2.050
R-factor	0.1784
Rwork	0.176
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5axa
RMSD bond length	0.002
RMSD bond angle	0.571
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]	82.254	2.085
High resolution limit [Å]	2.050	2.050
Rmerge	0.108
Number of reflections	48734	2405
<I/σ(I)>	15.5
Completeness [%]	99.8
Redundancy	12.8
CC(1/2)	0.990	0.860

Crystallization Conditions

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