8CFK

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment E06

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	75.570, 132.390, 98.850
Unit cell angles	90.00, 101.93, 90.00

Refinement procedure

Resolution	37.190 - 1.730
R-factor	0.1552
Rwork	0.155
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.870
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]	41.670	41.670	1.830
High resolution limit [Å]	1.730	5.150	1.730
Rmerge	0.121	0.033	1.450
Rmeas	0.137	0.037	1.647
Number of reflections	193396	7522	30336
<I/σ(I)>	9.26
Completeness [%]	97.7
Redundancy	4.57
CC(1/2)	0.997	0.999	0.371

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