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8ZEC

AtoB in complex with substrate analogue

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL02U1
Synchrotron siteSSRF
BeamlineBL02U1
Temperature [K]293.15
Detector technologyPIXEL
Collection date2023-10-26
DetectorDECTRIS EIGER2 X 9M
Wavelength(s)0.97915
Spacegroup nameP 1 21 1
Unit cell lengths44.265, 92.917, 44.265
Unit cell angles90.00, 90.18, 90.00
Refinement procedure
Resolution29.710 - 1.650
Rwork0.126
R-free0.15840
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6u9i
RMSD bond length0.012
RMSD bond angle1.798
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX (5.8.0415)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.7101.709
High resolution limit [Å]1.6001.650
Number of reflections422304259
<I/σ(I)>14.16
Completeness [%]99.2
Redundancy5.6
CC(1/2)0.9980.815
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP291.152 M ammonium sulfate, 0.2 M potassium sodium tartrate tetrahydrate, and 0.1 M sodium citrate (pH 5.6)

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