9QYJ

Crystal structure of human S-adenosyl-L-homocysteine hydrolase in complex with adenosine and cadmium ions.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.5
Spacegroup name	P 1
Unit cell lengths	82.186, 89.710, 124.297
Unit cell angles	96.44, 89.92, 105.82

Refinement procedure

Resolution	74.590 - 1.930
R-factor	0.1765
Rwork	0.176
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.971
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.700	2.256
High resolution limit [Å]	1.930	1.930
Rmerge	0.130
Number of reflections	135530	6777
<I/σ(I)>	6
Completeness [%]	85.9
Redundancy	2.8
CC(1/2)	0.990	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	Morpheus D4