8CFY

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment H08

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	2021-08-27
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 2 1
Unit cell lengths	109.085, 103.191, 175.392
Unit cell angles	90.00, 99.55, 90.00

Refinement procedure

Resolution	42.610 - 1.880
R-factor	0.1738
Rwork	0.174
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.500	49.500	2.000
High resolution limit [Å]	1.880	5.620	1.880
Rmerge	0.145	0.036	1.592
Rmeas	0.164	0.040	1.794
Number of reflections	308731	11875	49559
<I/σ(I)>	7.72
Completeness [%]	99.8
Redundancy	4.54
CC(1/2)	0.996	0.999	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	50 mM KH2PO4, 20% (w/v) PEG8000, 20% (v/v) glycerol