+
Open data
-
Basic information
Entry | Database: PDB / ID: 1hha | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Title | Decaplanin first P6122-Form | ||||||||||||
![]() | DECAPLANIN | ||||||||||||
![]() | ANTIBIOTIC / GLYCOPEPTIDE | ||||||||||||
Function / homology | Decaplanin / 4-epi-vancosamine / : ![]() | ||||||||||||
Biological species | ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Lehmann, C. / Vertessy, L. / Sheldrick, G.M. / Dauter, Z. / Dauter, M. | ||||||||||||
![]() | ![]() Title: Structures of Four Crystal Forms of Decaplanin Authors: Lehmann, C. / Debreczeni, J.E. / Bunkoczi, G. / Dauter, M. / Dauter, Z. / Vertesy, L. / Sheldrick, G.M. | ||||||||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 22.9 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 19.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 6.3 KB | Display | |
Data in CIF | ![]() | 7.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||||||||||
2 | ![]()
| ||||||||||||||||
Unit cell |
| ||||||||||||||||
Components on special symmetry positions |
| ||||||||||||||||
Noncrystallographic symmetry (NCS) | NCS oper:
|
-
Components
#1: Protein/peptide | #2: Polysaccharide | alpha-L-rhamnopyranose-(1-2)-beta-D-glucopyranose ![]() Source method: isolated from a genetically manipulated source Details: DECAPLANIN IS A TRICYCLIC GLYCOPEPTIDE. THE SCAFFOLD IS A HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L, GLYCOSYLATED References: Decaplanin #3: Sugar | ChemComp-ERE / ![]() Source method: isolated from a genetically manipulated source Formula: C7H15NO3 Details: DECAPLANIN IS A TRICYCLIC GLYCOPEPTIDE. THE SCAFFOLD IS A HEPTAPEPTIDE WITH THE CONFIGURATION D-D-L-D-D-L-L, GLYCOSYLATED References: Decaplanin #4: Chemical | #5: Water | ChemComp-HOH / | Compound details | DECAPLANIN IS A TRICYCLIC GLYCOPEPTIDE. HERE, DECAPLANIN IS REPRESENTED BY GROUPING TOGETHER THE ...DECAPLANIN | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 3.93 Å3/Da / Density % sol: 57.61 % |
---|---|
Crystal grow | pH: 8.5 / Details: 0.1M TRIS, PH=8.5, 44% MGSO4, pH 8.50 |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Diffraction source | Source: ![]() ![]() ![]() | |||||||||
Detector | Type: ![]() ![]() | |||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||
Radiation wavelength |
| |||||||||
Reflection | Resolution: 1.9→23.23 Å / Num. obs: 8592 / % possible obs: 99.5 % / Redundancy: 10.5 % / Rmerge(I) obs: 0.0382 / Net I/σ(I): 26.2 | |||||||||
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 10.7 % / Rmerge(I) obs: 0.1031 / Mean I/σ(I) obs: 7.28 / % possible all: 99.8 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]()
| |||||||||||||||||||||||||||||||||
Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-228 | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 9 / Occupancy sum hydrogen: 432.9 / Occupancy sum non hydrogen: 521.8 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→23.23 Å
| |||||||||||||||||||||||||||||||||
Refine LS restraints |
|