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2YJ8

CATHEPSIN L WITH A NITRILE INHIBITOR

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2011-02-18
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 21 21 21
Unit cell lengths45.975, 57.265, 76.218
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.780 - 1.300
R-factor0.14264
Rwork0.141
R-free0.18159
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.011
RMSD bond angle1.414
Data reduction softwareXDS
Data scaling softwareSADABS
Phasing softwareREFMAC
Refinement softwareREFMAC (5.6.0112)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.390
High resolution limit [Å]1.3001.300
Rmerge0.0800.780
Number of reflections50228
<I/σ(I)>9.571.46
Completeness [%]99.899.8
Redundancy6.596.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.50.1 M BIS-TRIS PH 5.5, 0.2M SODIUM ACETATE, 25 % PEG 3350

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