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7AC9

Thrombin in complex with D-arginine (j77)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2017-04-07
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.91840
Spacegroup nameC 1 2 1
Unit cell lengths70.469, 71.370, 72.598
Unit cell angles90.00, 100.47, 90.00
Refinement procedure
Resolution43.540 - 1.393
R-factor0.1414
Rwork0.140
R-free0.16320
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2zgb
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (1.18.2-3874)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.5401.480
High resolution limit [Å]1.3901.390
Number of reflections6973211078
<I/σ(I)>11.28
Completeness [%]98.9
Redundancy32.9
CC(1/2)1.0000.770
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.527720mM sodium dihydrogen phosphate pH 7.5 350mM NaCl 27% PEG 8000

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