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5VMR

Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2017-04-17
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.979180
Spacegroup nameP 1 21 1
Unit cell lengths38.698, 246.477, 64.364
Unit cell angles90.00, 102.90, 90.00
Refinement procedure
Resolution19.969 - 1.950
R-factor0.1827
Rwork0.181
R-free0.20590
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5vid
RMSD bond length0.008
RMSD bond angle1.111
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.9701.990
High resolution limit [Å]1.9501.950
Rmerge0.0580.372
Number of reflections846574433
<I/σ(I)>7.72.2
Completeness [%]99.699.5
Redundancy3.53.5
CC(1/2)0.836
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2910.1 M Magnesium acetate, 0.1 M Sodium acetate pH 5.0, 10 % PEG8000

222036

PDB entries from 2024-07-03

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