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4NKU

Structure of Cid1 in complex with its short product ApU

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2012-06-04
DetectorADSC QUANTUM 315r
Wavelength(s)0.9394
Spacegroup nameP 1 21 1
Unit cell lengths54.020, 77.090, 81.830
Unit cell angles90.00, 90.71, 90.00
Refinement procedure
Resolution45.337 - 1.940
R-factor0.181
Rwork0.179
R-free0.22570
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4ep7
RMSD bond length0.007
RMSD bond angle1.077
Data reduction softwareXDS (package)
Data scaling softwareXDS (package)
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.8.1_1168))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.337
High resolution limit [Å]1.9401.940
Rmerge0.0930.086
Number of reflections49569
<I/σ(I)>13.142.28
Completeness [%]99.599.2
Redundancy55
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.12910.1 M imidazole/MES, pH 6.1, 20% glycerol, 10% PEG4000, 126 mM halogens (sodium iodide, sodium bromide, sodium fluoride), 10 mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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