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4NP3

Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCCD
Collection date2013-07-10
DetectorNOIR-1
Wavelength(s)1.000
Spacegroup nameP 1 21 1
Unit cell lengths31.000, 82.000, 32.000
Unit cell angles90.00, 118.00, 90.00
Refinement procedure
Resolution41.000 - 1.610
R-factor0.1795
Rwork0.177
R-free0.22460
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.495
Data reduction softwared*TREK (9.9.9.4L)
Data scaling softwared*TREK (9.9.9.4L)
Phasing softwarePHASER (2.1.4)
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]41.00040.9201.670
High resolution limit [Å]1.6103.4701.610
Rmerge0.0690.0460.269
Total number of observations70946581
Number of reflections18267
<I/σ(I)>11.227.44.3
Completeness [%]99.799.7100
Redundancy3.763.793.66
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5298PEG MME 5000, MES, (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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