9QIZ

Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase from P. aeruginosa: F324A Mutant Complexed with Adenosine and Rubidium Ions Replacing Native Potassium

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	74.550, 132.549, 99.397
Unit cell angles	90.00, 102.06, 90.00

Refinement procedure

Resolution	48.600 - 2.060
R-factor	0.1935
Rwork	0.193
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.536
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.600	48.600	2.180
High resolution limit [Å]	2.060	6.120	2.060
Rmerge	0.076	0.023	0.411
Rmeas	0.107	0.033	0.581
Number of reflections	218880	1848	7443
<I/σ(I)>	5.92
Completeness [%]	94.5
Redundancy	2.15
CC(1/2)	0.995	0.999	0.671

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