Mass: 18.015 Da / Num. of mol.: 318 / Source method: isolated from a natural source / Formula: H2O
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Details
Compound details
ONE CHANNEL TETRAMER (GENERATED BY USING THE BIOMT TRANSFORMATIONS ON CHAINS P AND Q AS NOTED ABOVE) ...ONE CHANNEL TETRAMER (GENERATED BY USING THE BIOMT TRANSFORMATIONS ON CHAINS P AND Q AS NOTED ABOVE) BINDS TO ONE MOLECULE OF TOXIN (CHAIN Y). THE TOXIN CAN BIND IN FOUR DISTINCT ORIENTATIONS ALL OF WHICH ARE PARTIALLY OCCUPIED IN THE LATTICE. THE TOXIN WAS REFINED WITH 1/4 OCCUPANCY WITH ONE ORIENTATION OF THE TOXIN IN THE ASYMMETRIC UNIT. THE SYMMETRY OPERATIONS AROUND THE 4 FOLD SYMMETRY AXIS GENERATES THE OTHER POSSIBLE THREE ORIENTATIONS. PLEASE SEE PRIMARY CITATION FOR MORE DETAILS.
Sequence details
PROTEIN IN CHAINS B,Q IS A CHIMERIC PROTEIN OF RAT KV1.2 AND RAT KV2.1. PLEASE REFER TO THE PRIMARY ...PROTEIN IN CHAINS B,Q IS A CHIMERIC PROTEIN OF RAT KV1.2 AND RAT KV2.1. PLEASE REFER TO THE PRIMARY CITATION FOR MORE DETAILS.
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 3.77 Å3/Da / Density % sol: 67.33 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.9 Details: PEG 400, POTASSIUM CHLORIDE, TRIS , pH 8.9, vapor diffusion, hanging drop, temperature 293K
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.075 Å / Relative weight: 1
Reflection
Resolution: 2.5→50 Å / Num. obs: 99907 / % possible obs: 96.1 % / Redundancy: 6.9 % / Rmerge(I) obs: 0.075 / Χ2: 1.985 / Net I/σ(I): 15.3
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Num. unique all
Χ2
Diffraction-ID
% possible all
2.5-2.59
2.3
0.44
7270
1.075
1
71.1
2.59-2.69
3.2
0.472
9298
1.148
1
91
2.69-2.82
4.5
0.427
10120
1.14
1
98.5
2.82-2.96
6.4
0.304
10270
1.21
1
100
2.96-3.15
8.1
0.222
10321
1.247
1
100
3.15-3.39
8.5
0.147
10306
1.428
1
100
3.39-3.73
8.8
0.098
10380
1.645
1
100
3.73-4.27
8.8
0.066
10436
2.005
1
100
4.27-5.38
8.7
0.054
10548
2.415
1
100
5.38-50
8.2
0.043
10958
4.343
1
99.7
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Processing
Software
Name
Version
Classification
NB
DENZO
datareduction
SCALEPACK
datascaling
CNS
refinement
PDB_EXTRACT
3.11
dataextraction
HKL-2000
datacollection
HKL-2000
datareduction
CNS
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.5→50 Å / Occupancy max: 1 / Occupancy min: 0.25 / σ(F): 0 Details: THERE IS A TOXIN MOLECULE BOUND TO THE CHANNEL TETRAMER GENERATED BY FOUR COPIES OF A TOGETHER WITH FOUR COPIES OF B. HOWEVER IT WAS NOT BUILT BECAUSE IT WAS NOT SUFFICIENTLY WELL ORDERED. ...Details: THERE IS A TOXIN MOLECULE BOUND TO THE CHANNEL TETRAMER GENERATED BY FOUR COPIES OF A TOGETHER WITH FOUR COPIES OF B. HOWEVER IT WAS NOT BUILT BECAUSE IT WAS NOT SUFFICIENTLY WELL ORDERED. RESIDUES 133-144 IN CHAIN B WAS BUILT AS A POLYGLYCINE CHAIN BECAUSE OF LACK OF ADEQUATE ELECTRON DENSITY FOR THE SIDE CHAINS.
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