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4W9E

pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2014-04-27
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.9795
Spacegroup nameP 41 2 2
Unit cell lengths93.097, 93.097, 364.436
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution93.100 - 2.600
R-factor0.2085
Rwork0.206
R-free0.26110
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1vcb
RMSD bond length0.006
RMSD bond angle1.175
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.21)
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]93.10048.8542.740
High resolution limit [Å]0.9938.2202.600
Rmerge0.0230.962
Rmeas0.119
Rpim0.0380.0090.355
Total number of observations4422041456556748
Number of reflections50195
<I/σ(I)>14.342.52
Completeness [%]99.196.899
Redundancy8.88.27.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.3291PEG 3350, MgOAc, Sodium cacodylate, DTT

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