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9OVQ

PAD2 with an inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2021-04-07
DetectorDECTRIS PILATUS 6M
Wavelength(s)1
Spacegroup nameC 1 2 1
Unit cell lengths201.936, 51.254, 76.314
Unit cell angles90.00, 106.47, 90.00
Refinement procedure
Resolution30.510 - 2.175
R-factor0.2207
Rwork0.218
R-free0.26940
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.950
Data reduction softwareautoPROC
Data scaling softwareautoPROC
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.8)
Data quality characteristics
 Overall
Low resolution limit [Å]96.827
High resolution limit [Å]2.175
Rmerge0.059
Rmeas0.071
Rpim0.039
Number of reflections19849
<I/σ(I)>7.6
Completeness [%]99.4
Redundancy3.3
CC(1/2)0.998
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION5.52930.1 M magnesium acetate, 50 mM MES pH 5.5, and 9-16% 2-methyl 2,4-pentane diol

246031

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