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4I4R

BEL beta-trefoil apo crystal form 4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-1
Synchrotron siteESRF
BeamlineID14-1
Temperature [K]100
Detector technologyCCD
Collection date2011-06-22
DetectorADSC QUANTUM 210
Wavelength(s)0.93340
Spacegroup nameP 1 21 1
Unit cell lengths65.420, 70.030, 71.830
Unit cell angles90.00, 106.84, 90.00
Refinement procedure
Resolution24.635 - 1.770
R-factor0.1786
Rwork0.176
R-free0.21970
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4i4p
RMSD bond length0.006
RMSD bond angle1.060
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwarePHENIX ((phenix.refine: 1.7.2_869))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.870
High resolution limit [Å]1.7701.770
Rmerge0.0740.355
Number of reflections59260
<I/σ(I)>12.23.2
Completeness [%]98.097
Redundancy3.43.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52930.1 M Tris-HCl, 0.2 M magnesium chloride, 25% PEG4000, 0.2 M 1-butyl-3-methylimidazolium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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