+
Open data
-
Basic information
Entry | Database: PDB / ID: 1ojq | ||||||
---|---|---|---|---|---|---|---|
Title | The crystal structure of C3stau2 from S. aureus | ||||||
![]() | ADP-RIBOSYLTRANSFERASE | ||||||
![]() | TRANSFERASE / ADP-RIBOSYLTRANSFERASE | ||||||
Function / homology | ![]() NAD+-protein ADP-ribosyltransferase activity / nucleotide binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Evans, H.R. / Sutton, J.M. / Holloway, D.E. / Ayriss, J. / Shone, C.C. / Acharya, K.R. | ||||||
![]() | ![]() Title: The Crystal Structure of C3Stau2 from Staphylococcus Aureus and its Complex with Nad Authors: Evans, H.R. / Sutton, J.M. / Holloway, D.E. / Ayriss, J. / Shone, C.C. / Acharya, K.R. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 59.3 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 42.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 360.6 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 362.4 KB | Display | |
Data in XML | ![]() | 5.7 KB | Display | |
Data in CIF | ![]() | 9.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 23666.775 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
---|---|
#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 1.75 Å3/Da / Density % sol: 50 % | ||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | pH: 6.5 / Details: 30% PEG 8000, 0.1M SODIUM CACODYLATE BUFFER PH 6.5 | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 22 ℃ / Method: vapor diffusion, hanging drop / PH range low: 6.6 / PH range high: 6.4 | ||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Dec 22, 2002 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 1.68→50 Å / Num. obs: 22478 / % possible obs: 98.9 % / Redundancy: 20 % / Rmerge(I) obs: 0.085 / Net I/σ(I): 20 |
Reflection shell | Resolution: 1.68→1.74 Å / Rmerge(I) obs: 0.295 / Mean I/σ(I) obs: 5.3 / % possible all: 97.5 |
Reflection | *PLUS Highest resolution: 1.68 Å / Num. obs: 22619 / % possible obs: 99.4 % / Num. measured all: 409845 / Rmerge(I) obs: 0.085 |
Reflection shell | *PLUS % possible obs: 97.5 % / Rmerge(I) obs: 0.295 / Mean I/σ(I) obs: 5.3 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Details: CNS (BRUNGER ET AL) WAS USED IN THE INITIAL STAGES OF REFINEMENT. RESIDUES 197-199 ARE SLIGHTLY DISORDERED AND MODELLED ON THE BASIS OF WEAK DENSITY. THE EXTREMITIES OF SIDE CHAINS 85, ...Details: CNS (BRUNGER ET AL) WAS USED IN THE INITIAL STAGES OF REFINEMENT. RESIDUES 197-199 ARE SLIGHTLY DISORDERED AND MODELLED ON THE BASIS OF WEAK DENSITY. THE EXTREMITIES OF SIDE CHAINS 85, 94,170 AND 200 HAVE BEEN MODELLED AT ZERO OCCUPENCY DUE TO INSUFFICIENT DENSITY.
| |||||||||||||||||||||||||||||||||
Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-2 | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 5 / Occupancy sum non hydrogen: 1934.98 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.68→50 Å
| |||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||
Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor Rwork: 0.17 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
|