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3NIK

The structure of UBR box (REAA)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 4A
Synchrotron sitePAL/PLS
Beamline4A
Temperature [K]100
Detector technologyCCD
Collection date2009-11-08
DetectorADSC QUANTUM 210
Wavelength(s)1.0000
Spacegroup nameP 32
Unit cell lengths44.534, 44.534, 139.636
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution38.570 - 1.850
R-factor0.1935
Rwork0.191
R-free0.24320
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3nis
RMSD bond length0.008
RMSD bond angle1.084
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.880
High resolution limit [Å]1.8505.0201.850
Rmerge0.0780.0450.473
Number of reflections26430
<I/σ(I)>9.6
Completeness [%]100.099.7100
Redundancy6.96.96.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82950.1M Bis-Tris pH 6.5, 10%(w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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