6Q6C | pdb_00006q6c

Pore-modulating toxins exploit inherent slow inactivation to block K+ channels


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1Y62 

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP2980.05M Potassium phosphate monobasic and 20% w/v PEG 8,000
Crystal Properties
Matthews coefficientSolvent content
2.9157.69

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 64.835α = 90
b = 64.835β = 90
c = 66.825γ = 120
Symmetry
Space GroupP 32 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42011-11-03MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-40.98ESRFID14-4

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)Rpim I (All)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
11.328.0799.410.0614819.753.740174
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Rpim I (All)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.31.34698.840.7143.7

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1Y621.328.0738155202299.420.163610.161580.160.202480.2RANDOM23.632
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
0.930.470.93-3.03
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg26.091
r_dihedral_angle_4_deg18.489
r_dihedral_angle_3_deg12.32
r_dihedral_angle_1_deg8.177
r_scbond_it8.137
r_scbond_other5.19
r_rigid_bond_restr5.188
r_scangle_other5.141
r_long_range_B_refined4.973
r_long_range_B_other4.852
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms933
Nucleic Acid Atoms
Solvent Atoms141
Heterogen Atoms38

Software

Software
Software NamePurpose
REFMACrefinement
Epinormdata reduction
HKL-2000data scaling
MOLREPphasing