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9QNS

APH(2'')-IVa with a fragment

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2018-03-09
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9897
Spacegroup nameP 1 21 1
Unit cell lengths75.725, 64.677, 76.345
Unit cell angles90.00, 91.96, 90.00
Refinement procedure
Resolution49.340 - 2.000
R-factor0.2183
Rwork0.216
R-free0.25600
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.889
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX ((1.20.1_4487: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.3402.070
High resolution limit [Å]2.0002.000
Number of reflections496524883
<I/σ(I)>14.02
Completeness [%]98.8
Redundancy3
CC(1/2)0.9540.715
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29112% PEG3350, 50-90 mM Ammonium citrate

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