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2UUE

REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors

Replaces:  2C5T
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2003-02-14
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths74.563, 113.800, 155.031
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution91.290 - 2.060
R-factor0.197
Rwork0.196
R-free0.24400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ol1
RMSD bond length0.010
RMSD bond angle1.636
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.170
High resolution limit [Å]2.0602.060
Rmerge0.1101.060
Number of reflections79118
<I/σ(I)>13.21.4
Completeness [%]99.098
Redundancy2.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.822% PEG 3350, 0.1M NA3-CIT, pH 7.80

218853

数据于2024-04-24公开中

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