8CFP

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment F09

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 21 1
Unit cell lengths	73.830, 132.890, 98.710
Unit cell angles	90.00, 101.06, 90.00

Refinement procedure

Resolution	48.440 - 1.610
R-factor	0.1579
Rwork	0.158
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.440	48.440	1.710
High resolution limit [Å]	1.610	4.810	1.610
Rmerge	0.099	0.028	1.469
Rmeas	0.112	0.031	1.668
Number of reflections	235432	9049	37151
<I/σ(I)>	10.3
Completeness [%]	97.6
Redundancy	4.64
CC(1/2)	0.998	0.999	0.411

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