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5AO5

Endo180 D1-4, monoclinic form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2014-10-05
DetectorDECTRIS PIXEL
Spacegroup nameC 1 2 1
Unit cell lengths126.370, 92.370, 127.650
Unit cell angles90.00, 100.31, 90.00
Refinement procedure
Resolution60.158 - 2.480
R-factor0.1961
Rwork0.194
R-free0.24420
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB ENTRIES 1TDQ 3m7p 1dqg
RMSD bond length0.006
RMSD bond angle0.901
Data reduction softwarexia2
Data scaling softwarexia2
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]62.8002.540
High resolution limit [Å]2.4802.480
Rmerge0.0500.480
Number of reflections50153
<I/σ(I)>15.42.2
Completeness [%]97.898.4
Redundancy3.33.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.5pH 7.5

225158

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