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6NDG

RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH YTTRIUM BOUND

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2010-06-27
DetectorRIGAKU
Wavelength(s)1.54
Spacegroup nameP 41
Unit cell lengths130.846, 130.846, 251.167
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.940 - 3.150
R-factor0.2177
Rwork0.215
R-free0.27120
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5thp
RMSD bond length0.006
RMSD bond angle1.423
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.22)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]130.84646.8963.320
High resolution limit [Å]3.1509.9603.150
Rmerge0.0440.732
Rmeas0.1730.0470.774
Rpim0.0560.0150.250
Total number of observations680196
Number of reflections72738234010596
<I/σ(I)>13.513.51
Completeness [%]100.099.1100
Redundancy9.48.89.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82930.1 M TRIS, 2.65 M AMMONIUM SULPHATE

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