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7N3M

Co-complex CYP46A1 with 0431 (compound 17)

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.3
Synchrotron siteALS
Beamline5.0.3
Temperature [K]100
Detector technologyCCD
Collection date2012-08-08
DetectorADSC QUANTUM 315r
Wavelength(s)0.976
Spacegroup nameP 21 21 21
Unit cell lengths58.572, 63.717, 125.061
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.669 - 1.698
Rwork0.164
R-free0.19180
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7lrl
RMSD bond length0.015
RMSD bond angle1.900
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.0001.730
High resolution limit [Å]1.6981.698
Number of reflections517754610
<I/σ(I)>15.81.86
Completeness [%]98.7
Redundancy6.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29017.5% PEG 3350, 0.4M Calcium Cl

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