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3KL0

Crystal structure of the glucuronoxylan xylanohydrolase XynC from Bacillus subtilis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]105
Detector technologyCCD
Collection date2008-08-01
DetectorADSC QUANTUM 315r
Wavelength(s)0.97607
Spacegroup nameP 21 21 2
Unit cell lengths138.490, 195.796, 66.246
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 1.640
R-factor0.16858
Rwork0.167
R-free0.20086
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3gtn
RMSD bond length0.015
RMSD bond angle1.380
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.700
High resolution limit [Å]1.6401.640
Rmerge0.124
Number of reflections220570
<I/σ(I)>51
Completeness [%]100.0100
Redundancy7.26.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP294.65200 mM Na Tartrate 200 mM Na Malonate pH 7.0 19% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 294.65K

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