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9QNN

APH(2'')-IVa with a fragment

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM30A
Synchrotron siteESRF
BeamlineBM30A
Temperature [K]100
Detector technologyPIXEL
Collection date2018-06-08
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9897
Spacegroup nameP 1 21 1
Unit cell lengths75.382, 65.091, 76.947
Unit cell angles90.00, 90.74, 90.00
Refinement procedure
Resolution49.690 - 2.650
R-factor0.2099
Rwork0.206
R-free0.28210
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.095
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX ((1.20.1_4487: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.6902.750
High resolution limit [Å]2.6502.650
Number of reflections202781995
<I/σ(I)>12.06
Completeness [%]92.7
Redundancy2.9
CC(1/2)0.9980.689
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29112% PEG3350, 50-90 mM Ammonium citrate

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