8CFZ

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment H09

This is a non-PDB format compatible entry.

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	111.073, 210.799, 111.501
Unit cell angles	90.00, 105.83, 90.00

Refinement procedure

Resolution	43.420 - 1.770
R-factor	0.1697
Rwork	0.170
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.362
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.530	48.530	1.880
High resolution limit [Å]	1.770	5.280	1.770
Rmerge	0.115	0.030	1.556
Rmeas	0.130	0.034	1.746
Number of reflections	470138	17980	74610
<I/σ(I)>	9.69
Completeness [%]	98.2
Redundancy	4.67
CC(1/2)	0.997	0.999	0.378

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