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8F7V

Macrocyclic plasmin inhibitor

Replaces:  7T52
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyCCD
Collection date2022-04-28
DetectorADSC QUANTUM 315r
Wavelength(s)0.9537
Spacegroup nameP 1 21 1
Unit cell lengths48.678, 50.193, 92.024
Unit cell angles90.00, 93.31, 90.00
Refinement procedure
Resolution48.600 - 1.650
R-factor0.1741
Rwork0.173
R-free0.18670
Structure solution methodMOLECULAR REPLACEMENT
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.22)
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]91.87048.5971.740
High resolution limit [Å]1.6505.2201.650
Rmerge0.0550.523
Rmeas0.1080.0600.575
Rpim0.0440.0250.236
Total number of observations3092381021745529
Number of reflections5367717937859
<I/σ(I)>9.119.22.8
Completeness [%]100.099.9100
Redundancy5.85.75.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP529313-18% PEG 4000, 150 mM Ammonium sulfate, 100 mM MES

219869

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