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9R8R

Factor Xa bound to BAY 3389934

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP14 (MX2)
Temperature [K]100
Detector technologyPIXEL
Collection date2022-04-26
DetectorDECTRIS EIGER2 X CdTe 16M
Wavelength(s)0.979500
Spacegroup nameP 21 21 21
Unit cell lengths55.678, 71.105, 79.748
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.650 - 2.040
R-factor0.2292
Rwork0.227
R-free0.26630
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.673
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0091)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.6802.160
High resolution limit [Å]2.0402.040
Rmeas0.1382.200
Number of reflections195612145
<I/σ(I)>12.51.15
Completeness [%]94.4
Redundancy12.9
CC(1/2)0.9990.444
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.82930.1M MES pH5.8, 3.5% PEG1000, 25% PEG600, 11% Glycerol

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