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9L2B

Crystal structure of AnAE in complex with carbaryl

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNFPSS BEAMLINE BL19U1
Synchrotron siteNFPSS
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-05-04
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97853
Spacegroup nameP 32 2 1
Unit cell lengths79.347, 79.347, 92.827
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution28.210 - 1.490
R-factor0.1442
Rwork0.143
R-free0.16540
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.203
Data reduction softwareXDS (Jan 10, 2022)
Data scaling softwareAimless
Phasing softwarePHASES
Refinement softwarePHENIX ((1.20.1_4487: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.2301.570
High resolution limit [Å]1.4901.490
Rmerge0.861
Number of reflections553368119
<I/σ(I)>17.12.8
Completeness [%]98.6100
Redundancy1812.9
CC(1/2)0.9980.861
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52882.0 M Ammonium sulfate, 0.1 M Tris(hydroxymethyl)aminomethane-HCl, pH 8.5

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