+
Open data
-
Basic information
Entry | Database: PDB / ID: 8rry | ||||||
---|---|---|---|---|---|---|---|
Title | Crystal structure of copper-loaded SmAA10 | ||||||
![]() | CBP21 | ||||||
![]() | OXIDOREDUCTASE / lytic polysaccharide monooxygenase (LPMO) / copper enzyme | ||||||
Function / homology | Cellulose/chitin-binding protein, N-terminal / Lytic polysaccharide mono-oxygenase, cellulose-degrading / chitin catabolic process / Immunoglobulin E-set / CITRIC ACID / COPPER (II) ION / Chitin-binding protein![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Munzone, A. / Pujol, M. / Reglier, M. / Royant, A. / Simaan, A.J. / Decroos, C. | ||||||
Funding support | ![]()
| ||||||
![]() | ![]() Title: Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens. Authors: Munzone, A. / Pujol, M. / Tamhankar, A. / Joseph, C. / Mazurenko, I. / Reglier, M. / Jannuzzi, S.A.V. / Royant, A. / Sicoli, G. / DeBeer, S. / Orio, M. / Simaan, A.J. / Decroos, C. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 163.4 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 121.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 3.3 MB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 3.3 MB | Display | |
Data in XML | ![]() | 19.3 KB | Display | |
Data in CIF | ![]() | 28.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
---|
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||||||
2 |
| ||||||||||||
Unit cell |
| ||||||||||||
Components on special symmetry positions |
|
-
Components
#1: Protein | Mass: 18812.832 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: cbp, gbpA, AB868_00786, BVG97_15155, FOT62_12335, HMI62_18715, JBO39_14050, NCTC10211_02621 Production host: ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.08 Å3/Da / Density % sol: 40.82 % |
---|---|
Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop Details: precipitant: 0.1 M citric acid (pH 3.7), 25% w/v PEG 3350; protein solution: holo-SmAA10 (15 mg/mL) in 50 mM MES (pH 6.5) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 26, 2021 |
Radiation | Monochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 1.4556→27.312 Å / Num. obs: 52821 / % possible obs: 98.4 % / Redundancy: 3.5 % / Biso Wilson estimate: 14.9368265296 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.0898 / Rrim(I) all: 0.1064 / Net I/σ(I): 9.01 |
Reflection shell | Resolution: 1.456→1.508 Å / Rmerge(I) obs: 0.9846 / Mean I/σ(I) obs: 1.08 / Num. unique obs: 5146 / CC1/2: 0.567 / Rrim(I) all: 1.176 / % possible all: 96 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.0581766013 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4556132868→27.3119999955 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
|