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6A8O

Crystal structures of the serine protease domain of murine plasma kallikrein with peptide inhibitor mupain-1-16

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2014-12-04
DetectorADSC QUANTUM 315
Wavelength(s)0.9791
Spacegroup nameP 21 21 21
Unit cell lengths71.260, 82.450, 105.320
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution52.660 - 2.770
R-factor0.217
Rwork0.212
R-free0.30000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2any
RMSD bond length0.008
RMSD bond angle1.642
Data reduction softwarexia2
Data scaling softwarexia2
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.6602.870
High resolution limit [Å]2.7702.770
Rmerge0.0900.090
Rpim0.039
Number of reflections16315
<I/σ(I)>15.7315.73
Completeness [%]99.899.8
Redundancy7
CC(1/2)0.998
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29825% PEG 3350

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