[English] 日本語
![](img/lk-miru.gif)
- PDB-5et3: Crystal Structure of De novo Designed Fullerene organizing peptide -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 5et3 | ||||||
---|---|---|---|---|---|---|---|
Title | Crystal Structure of De novo Designed Fullerene organizing peptide | ||||||
![]() | Fullerene Organizing Protein (C60Sol-COP-3) | ||||||
![]() | DE NOVO PROTEIN / fullerene / complex / helical assembly | ||||||
Function / homology | (C_{60}-I_{h})[5,6]fullerene![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() ![]() | ||||||
![]() | Kim, K.-H. / Kim, Y.H. / Acharya, R. / Kim, N.H. / Paul, J. / Grigoryan, G. / DeGrado, W.F. | ||||||
Funding support | ![]()
| ||||||
![]() | ![]() Title: Protein-directed self-assembly of a fullerene crystal. Authors: Kim, K.-H. / Ko, D.-K. / Kim, Y.-T. / Kim, N.H. / Paul, J. / Zhang, S.-Q. / Murray, C.B. / Acharya, R. / DeGrado, W.F. / Kim, Y.H. / Grigoryan, G. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 35.6 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 25.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.2 MB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 5.1 KB | Display | |
Data in CIF | ![]() | 6.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5hknC ![]() 5hkrC ![]() 3s0rS S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein/peptide | Mass: 3188.565 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #2: Chemical | ChemComp-60C / ( | #3: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 54.19 % |
---|---|
Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: The 2 uL drop consisted of a 1:1 v/v mixture of 8 mg/ml complex solution in 25 mM Tris pH 8.0 and reservoir solution consisting of 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic ...Details: The 2 uL drop consisted of a 1:1 v/v mixture of 8 mg/ml complex solution in 25 mM Tris pH 8.0 and reservoir solution consisting of 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000 |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Diffraction source | Source: ![]() ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Oct 21, 2014 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Diffraction measurement | Details: 1.00 degrees, 1.0 sec, detector distance 200.00 mm / Method: \w scans | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: double crystal monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Av R equivalents: 0.066 / Number: 122822 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.67→50 Å / Num. obs: 7537 / % possible obs: 95.9 % / Redundancy: 16.3 % / Biso Wilson estimate: 11.04 Å2 / Rmerge(I) obs: 0.066 / Χ2: 0.947 / Net I/av σ(I): 30.99 / Net I/σ(I): 17.5 / Num. measured all: 122822 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / Rejects: _
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Cell measurement | Reflection used: 122822 |
-Phasing
Phasing | Method: ![]() |
---|
-
Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 3S0R Resolution: 1.671→15.304 Å / SU ML: 0.16 / Cross valid method: THROUGHOUT / σ(F): 1.52 / Phase error: 24.14 / Stereochemistry target values: ML
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 79.13 Å2 / Biso mean: 22.5022 Å2 / Biso min: 9.15 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.671→15.304 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 5
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS group |
|