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4QWP

co-crystal structure of chitosanase OU01 with substrate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]77
Detector technologyCCD
Collection date2014-04-22
DetectorADSC QUANTUM 315r
Spacegroup nameP 1 21 1
Unit cell lengths62.235, 40.885, 105.313
Unit cell angles90.00, 106.83, 90.00
Refinement procedure
Resolution30.000 - 1.700
R-factor0.168
Rwork0.166
R-free0.20400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4olt
RMSD bond length0.019
RMSD bond angle1.940
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 Overall
Low resolution limit [Å]30.000
High resolution limit [Å]1.700
Rmerge0.058
Number of reflections53026
Completeness [%]97.5
Redundancy3.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
12900.05 M KH2PO4, 23% PEG 8000 using 0.7 M NaCl as the reservoir, VAPOR DIFFUSION, HANGING DROP, temperature 290K

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