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3KR4

Structure of a protease 3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyCCD
Collection date2009-07-08
DetectorADSC QUANTUM 315r
Wavelength(s)0.95659
Spacegroup nameP 21 21 21
Unit cell lengths173.561, 178.121, 230.479
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.150 - 2.000
R-factor0.19459
Rwork0.192
R-free0.24193
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3kqx
RMSD bond length0.018
RMSD bond angle1.628
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0063)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]62.1402.110
High resolution limit [Å]2.0002.000
Rmerge0.2510.999
Total number of observations6476290
Number of reflections469417
<I/σ(I)>11.32.5
Completeness [%]98.596.6
Redundancy13.811.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.529840% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSo4, 1mM TCEP, 1mM MgCl2, 1mM Bestatin, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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