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4Z2L

Serratia marcescens Chitinase B complexed with macrolide inhibitor 33

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-17A
Synchrotron sitePhoton Factory
BeamlineBL-17A
Temperature [K]100
Detector technologyCCD
Collection date2012-01-30
DetectorADSC QUANTUM 315r
Wavelength(s)0.9800
Spacegroup nameP 43 21 2
Unit cell lengths97.795, 97.795, 196.635
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.990 - 2.300
R-factor0.16975
Rwork0.168
R-free0.20671
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3wd0
RMSD bond length0.009
RMSD bond angle1.088
Data reduction softwareiMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.390
High resolution limit [Å]2.3002.300
Rmerge0.1310.589
Number of reflections42626
<I/σ(I)>14.83.8
Completeness [%]98.692.4
Redundancy118.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72980.1M Hepes-Na pH7.0, 0.8M ammonium sulfate, 5% (v/v) glycerol

222036

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