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7UUH

The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-2 (cis-form)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-BM
Synchrotron siteAPS
Beamline22-BM
Temperature [K]100
Detector technologyCCD
Collection date2021-07-15
DetectorRAYONIX MX300-HS
Wavelength(s)1.000
Spacegroup nameI 4 2 2
Unit cell lengths90.980, 90.980, 134.738
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.950 - 2.890
R-factor0.2511
Rwork0.249
R-free0.28310
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5vpt
RMSD bond length0.003
RMSD bond angle0.665
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]75.4003.070
High resolution limit [Å]2.8902.890
Rmerge0.0700.930
Rpim0.0320.418
Number of reflections65681045
<I/σ(I)>18.62
Completeness [%]99.299.3
Redundancy5.8
CC(1/2)0.9990.789
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2910.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15

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