9QJ0

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa: Q65A 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	111.021, 211.620, 111.650
Unit cell angles	90.00, 105.71, 90.00

Refinement procedure

Resolution	48.670 - 2.400
R-factor	0.1737
Rwork	0.164
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.280
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.670	2.540
High resolution limit [Å]	2.390	2.390
Rmerge	0.376	0.289
Number of reflections	1242978	56652
<I/σ(I)>	3.67
Completeness [%]	97.6	90.3
Redundancy	3.29
CC(1/2)	0.931	0.132

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