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8BO5

COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM30A
Synchrotron siteESRF
BeamlineBM30A
Temperature [K]100
Detector technologyPIXEL
Collection date2010-11-09
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97887
Spacegroup nameP 21 21 21
Unit cell lengths58.761, 59.742, 66.929
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.588 - 1.700
Rwork0.154
R-free0.17360
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)in house model
RMSD bond length0.010
RMSD bond angle1.539
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.5901.750
High resolution limit [Å]1.7001.700
Rmeas0.0820.742
Number of reflections263872026
<I/σ(I)>15.762.42
Completeness [%]99.3
Redundancy6.9
CC(1/2)0.9980.752
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.1M citrate buffer pH 4.5 and 20-30% PEG4000

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