9IFA

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

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	111.929, 111.929, 121.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.310 - 2.064
Rwork	0.165
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.643
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	2.120
High resolution limit [Å]	2.060	2.060
Rmerge	0.120
Number of reflections	45682	2369
<I/σ(I)>	17.7
Completeness [%]	94.8
Redundancy	22.1
CC(1/2)	0.990	0.610

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