8CG2

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment B07

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	C 1 2 1
Unit cell lengths	142.744, 85.381, 111.474
Unit cell angles	90.00, 122.25, 90.00

Refinement procedure

Resolution	41.720 - 1.370
R-factor	0.1478
Rwork	0.148
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.947
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]	47.140	47.140	1.450
High resolution limit [Å]	1.370	4.090	1.370
Rmerge	0.110	0.032	1.696
Rmeas	0.125	0.036	1.948
Number of reflections	236648	9060	37607
<I/σ(I)>	8.44
Completeness [%]	99.4
Redundancy	4.41
CC(1/2)	0.998	0.998	0.309

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