9QJ1

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa, Q65N mutant soaked with adenosine and probed with rubidium to confirm disruption of a potassium binding site.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-11
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.81301
Spacegroup name	P 1 21 1
Unit cell lengths	111.632, 211.298, 111.461
Unit cell angles	90.00, 106.00, 90.00

Refinement procedure

Resolution	48.590 - 2.340
R-factor	0.222
Rwork	0.183
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.251
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	2.490
High resolution limit [Å]	2.340	2.340
Rmerge	0.224	0.117
Number of reflections	404762	63001
<I/σ(I)>	5.64
Completeness [%]	98.4
Redundancy	3.5
CC(1/2)	0.976	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	50 mM KH2PO4, 20% (w/v) PEG8000, 20% (v/v) glycerol