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6O21

Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyCCD
Collection date2011-03-02
DetectorADSC QUANTUM 315r
Wavelength(s)0.9537
Spacegroup nameP 1 21 1
Unit cell lengths39.529, 63.145, 40.893
Unit cell angles90.00, 114.92, 90.00
Refinement procedure
Resolution37.085 - 1.150
R-factor0.1315
Rwork0.130
R-free0.16340
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4kel
Data reduction softwareMOSFLM
Data scaling softwareAimless (0.3.6)
Phasing softwarePHASER (2.5.6)
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]63.1501.170
High resolution limit [Å]1.1501.150
Rmerge0.0600.368
Rmeas0.0680.434
Rpim0.0310.227
Number of reflections623173008
<I/σ(I)>13
Completeness [%]96.693.6
Redundancy43.5
CC(1/2)0.9980.883
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.529330 % (w/v) PEG 8000, 0.1 M sodium acetate, 0.2 M lithium sulfate, pH 4.5

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