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5OCR

Crystal structure of the kappa-carrageenase zobellia_236 from Zobellia galactanivorans

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2016-12-03
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97
Spacegroup nameP 1
Unit cell lengths40.960, 83.040, 85.710
Unit cell angles72.56, 88.34, 89.48
Refinement procedure
Resolution81.740 - 1.660
R-factor0.16986
Rwork0.168
R-free0.20599
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dyp
RMSD bond length0.021
RMSD bond angle2.104
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]81.7001.700
High resolution limit [Å]1.6101.610
Rmerge0.0520.520
Number of reflections13217220564
<I/σ(I)>11.971.64
Completeness [%]93.990.1
Redundancy1.981.7
CC(1/2)0.9990.771
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.529027-29 % PEG 3350, 100 mM MES buffer at pH 6.5, 0.3 M NaNO3

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