8CG0

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment H11

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	73.910, 133.040, 98.930
Unit cell angles	90.00, 101.21, 90.00

Refinement procedure

Resolution	32.350 - 1.600
R-factor	0.1573
Rwork	0.157
R-free	0.18630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.979
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]	48.520	48.520	1.690
High resolution limit [Å]	1.600	4.770	1.600
Rmerge	0.082	0.028	1.682
Rmeas	0.093	0.032	1.912
Number of reflections	243622	9357	37810
<I/σ(I)>	10.56
Completeness [%]	98.4
Redundancy	4.57
CC(1/2)	0.999	0.999	0.398

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