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6YUM

CK2 alpha bound to unclosed Macrocycle

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2018-09-01
DetectorDECTRIS PILATUS 2M-F
Wavelength(s)1.000031
Spacegroup nameP 43 21 2
Unit cell lengths125.479, 125.479, 124.655
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.360 - 2.750
Rwork0.263
R-free0.28380
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3pe2
RMSD bond length0.009
RMSD bond angle1.376
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0257)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.3602.900
High resolution limit [Å]2.7502.750
Rpim0.0450.316
Number of reflections264813806
<I/σ(I)>10.5
Completeness [%]99.999.9
Redundancy9.6
CC(1/2)0.9980.923
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52930.1 M MES pH 6.5 0.2 ammonia sulphate 30% PEG 5000 MME 10 mg/mL protein

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