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7OMS

Bs164 in complex with mannocyclophellitol aziridine

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]293
Detector technologyPIXEL
Collection date2019-09-24
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.976246
Spacegroup nameP 1
Unit cell lengths69.335, 103.959, 170.127
Unit cell angles92.27, 97.71, 106.40
Refinement procedure
Resolution99.400 - 2.050
Rwork0.223
R-free0.25830
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6t7g
RMSD bond length0.008
RMSD bond angle1.437
Data reduction softwareDIALS
Data scaling softwarexia2
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]99.5972.090
High resolution limit [Å]2.0502.050
Number of reflections27709413602
<I/σ(I)>3.20.9
Completeness [%]98.1
Redundancy3.5
CC(1/2)0.9800.655
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1 M ammonium tartrate pH 7.0, 13 % PEG 3350

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