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8CFP

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

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.2
Synchrotron siteBESSY
Beamline14.2
Temperature [K]100
Detector technologyPIXEL
Collection date2021-08-27
DetectorDECTRIS PILATUS3 2M
Wavelength(s)0.9184
Spacegroup nameP 1 21 1
Unit cell lengths73.830, 132.890, 98.710
Unit cell angles90.00, 101.06, 90.00
Refinement procedure
Resolution48.440 - 1.610
R-factor0.1579
Rwork0.158
R-free0.18890
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle0.994
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareREFMAC
Refinement softwarePHENIX (1.19.2-4158)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]48.44048.4401.710
High resolution limit [Å]1.6104.8101.610
Rmerge0.0990.0281.469
Rmeas0.1120.0311.668
Number of reflections235432904937151
<I/σ(I)>10.3
Completeness [%]97.6
Redundancy4.64
CC(1/2)0.9980.9990.411
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP829150 mM KH2PO4, 20% (w/v) PEG8000, 20% (v/v) glycerol

220113

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