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6ZFM

Structure of alpha-Cobratoxin with a peptide inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP13 (MX1)
Temperature [K]100
Detector technologyPIXEL
Collection date2017-12-05
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.976200
Spacegroup nameP 61
Unit cell lengths49.438, 49.438, 289.629
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution27.645 - 1.900
R-factor0.2027
Rwork0.201
R-free0.23030
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ntn
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.6451.710
High resolution limit [Å]1.6801.680
Number of reflections454452353
<I/σ(I)>9.2
Completeness [%]100.0
Redundancy9.6
CC(1/2)0.9690.515
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2930.1 M Carboxylic acids (sodium formate / ammonium acetate / sodium citrate / sodium potassium tartrate / sodium oxamate), 0.1 M HEPES / MOPS pH7.5, 30.0 % v/v PEG 500 MME / PEG 20000

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