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4CMN

Crystal structure of OCRL in complex with a phosphate ion

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]77
Detector technologyCCD
Collection date2011-05-15
DetectorADSC CCD
Spacegroup nameP 41 3 2
Unit cell lengths146.766, 146.766, 146.766
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.922 - 3.130
R-factor0.2151
Rwork0.210
R-free0.26280
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3mtc
RMSD bond length0.006
RMSD bond angle0.997
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]103.7803.300
High resolution limit [Å]3.1303.130
Rmerge0.0600.790
Number of reflections10068
<I/σ(I)>10.51
Completeness [%]100.0100
Redundancy40.542.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.2 M ZINC ACETATE, 0.1 M NA-CACODYLATE PH 6.5, 10% ISOPROPANOL

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