9QYI

Crystal structure of human S-adenosyl-L-homocysteine hydrolase complex with adenosine

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)	0.915
Spacegroup name	P 1
Unit cell lengths	81.761, 90.195, 124.550
Unit cell angles	96.23, 89.57, 105.53

Refinement procedure

Resolution	123.780 - 1.590
R-factor	0.177
Rwork	0.177
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.854
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]	123.780	1.709
High resolution limit [Å]	1.588	1.588
Number of reflections	318137	15905
<I/σ(I)>	7.7
Completeness [%]	90.4
Redundancy	2.23
CC(1/2)	0.997	0.517

Crystallization Conditions

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