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6TS6

Coagulation factor XI protease domain in complex with active site inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2015-04-14
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)1.000040
Spacegroup nameP 21 21 21
Unit cell lengths60.060, 60.730, 66.590
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution26.000 - 1.330
R-factor0.1937
Rwork0.193
R-free0.21020
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.008
RMSD bond angle1.020
Data scaling softwareXSCALE (January 30, 2009)
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]60.07060.0701.360
High resolution limit [Å]1.3305.9501.330
Rmerge0.1340.1160.485
Rmeas0.1480.1270.543
Number of reflections558846604081
<I/σ(I)>8.0913.343.09
Completeness [%]98.79198.5
Redundancy4.8835.2734.743
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH5.5, 25% w/v Polyethylene glycol 3350

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