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2OR8

Tim-1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2005-10-01
DetectorADSC QUANTUM 4
Spacegroup nameP 21 21 21
Unit cell lengths44.490, 55.740, 75.530
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 2.500
R-factor0.241
Rwork0.232
R-free0.27800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Tim-2 homologous domain
RMSD bond length0.008
RMSD bond angle1.747
Data reduction softwareXDS
Data scaling softwareCCP4 ((SCALA))
Phasing softwarePHASER
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.000
High resolution limit [Å]1.9001.900
Rmerge0.1310.413
Number of reflections6839
<I/σ(I)>4.91.8
Completeness [%]99.799
Redundancy5.45.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.629830% PEG-2000 methylether, 5% PEG-400, 0.1M ammonium sulphate, 0.1M sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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