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1OKV

Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX14.2
Synchrotron siteSRS
BeamlinePX14.2
Temperature [K]100
Detector technologyCCD
Collection date2002-03-15
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths74.193, 113.879, 155.274
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution17.000 - 2.400
R-factor0.201
Rwork0.197
R-free0.27800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1fin
RMSD bond length0.017
RMSD bond angle1.915
Data reduction softwareHKL
Data scaling softwareSCALEPACK
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.0002.460
High resolution limit [Å]2.4002.400
Rmerge0.1100.650
Number of reflections52345

*

<I/σ(I)>5.91.3
Completeness [%]96.784.6
Redundancy10.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7

*

22% PEG 3350, 0.1M NA3-CIT, PH 7.80
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein7-8 (mg/ml)
21dropHEPES40 (mM)pH7.0
31drop200 (mM)
41dropdithiothreitol5 (mM)
51reservoirPEG335018 (%)
61reservoirtrisodium citrate100 (mM)

217705

数据于2024-03-27公开中

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