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8WWU

1-naphthylamine GS in complex with AMP PNP

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]110
Detector technologyPIXEL
Collection date2022-09-10
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.97853
Spacegroup nameP 21 21 21
Unit cell lengths123.685, 140.567, 217.028
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.817 - 2.000
R-factor0.1809
Rwork0.179
R-free0.20650
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.099
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((1.14_3260: 000))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.6902.030
High resolution limit [Å]2.0002.000
Number of reflections25104711527
<I/σ(I)>10.6
Completeness [%]98.6
Redundancy7.3
CC(1/2)0.9960.891
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2980.1 M magnesium chloride hexahydrate, 0.1 M rubidium chloride, 0.1 M PIPES 7.0 and 20 % v/v PEG smear low

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