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2Z38

Crystal structure of chloride bound Brassica juncea chitinase catalytic module (Bjchi3)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2004-02-01
DetectorADSC QUANTUM 4
Wavelength(s)0.934
Spacegroup nameP 21 21 21
Unit cell lengths48.475, 49.195, 100.907
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.630 - 1.800
R-factor0.157
Rwork0.155
R-free0.19800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2z37
RMSD bond length0.010
RMSD bond angle1.156
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0001.830
High resolution limit [Å]1.8004.8801.800
Rmerge0.1120.0880.311
Number of reflections23001
<I/σ(I)>19.7
Completeness [%]99.795.8100
Redundancy6.85.76.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.629525% mono methyl PEG 5000, 0.5M LiCl, 0.1M cacodylate buffer, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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