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8Z14

The crystal structure of DiatB-6-DMAT complex

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]291
Detector technologyPIXEL
Collection date2023-05-20
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.97853
Spacegroup nameP 61 2 2
Unit cell lengths66.816, 66.816, 375.520
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution55.300 - 2.638
R-factor0.2269
Rwork0.221
R-free0.27940
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.405
Data reduction softwareautoPROC
Data scaling softwareautoPROC
Phasing softwarePHASER
Refinement softwarePHENIX ((1.16_3549: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]57.1902.780
High resolution limit [Å]2.6382.640
Rmerge0.2001.800
Rmeas0.2091.864
Rpim0.0360.372
Number of reflections158612239
<I/σ(I)>17.72.3
Completeness [%]100.0
Redundancy31.9
CC(1/2)0.9990.812
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2911.6 M Potassium/Sodium phosphate pH 6.5

245663

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