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6A1E

Crystal structure of a synthase 1 from Santalum album in complex with ligand fps

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13C1
Synchrotron siteNSRRC
BeamlineBL13C1
Temperature [K]100
Detector technologyCCD
Collection date2016-01-10
DetectorADSC QUANTUM 315r
Wavelength(s)1.0
Spacegroup nameC 2 2 21
Unit cell lengths85.611, 139.498, 110.962
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution24.320 - 1.890
R-factor0.156
Rwork0.154
R-free0.19880
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2ong
RMSD bond length0.009
RMSD bond angle1.425
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0001.960
High resolution limit [Å]1.8901.890
Rmerge0.0470.491
Rmeas0.0400.017
Rpim0.0170.007
Total number of observations503665
Number of reflections530058989
<I/σ(I)>13.2
Completeness [%]99.5100
Redundancy4.14.1
CC(1/2)1.000
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5298Ammonium Sulfate, HEPES, MgCl2

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