+Open data
-Basic information
Entry | Database: PDB / ID: 1ota | ||||||
---|---|---|---|---|---|---|---|
Title | E46Q MUTANT OF PHOTOACTIVE YELLOW PROTEIN, P63 AT 295K | ||||||
Components | Photoactive yellow protein | ||||||
Keywords | SIGNALING PROTEIN / PYP | ||||||
Function / homology | Function and homology information photoreceptor activity / phototransduction / regulation of DNA-templated transcription / identical protein binding Similarity search - Function | ||||||
Biological species | Halorhodospira halophila (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.1 Å | ||||||
Authors | Anderson, S. / Crosson, S. / Moffat, K. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2004 Title: Short hydrogen bonds in photoactive yellow protein. Authors: Anderson, S. / Crosson, S. / Moffat, K. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1ota.cif.gz | 67.4 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1ota.ent.gz | 48.7 KB | Display | PDB format |
PDBx/mmJSON format | 1ota.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ot/1ota ftp://data.pdbj.org/pub/pdb/validation_reports/ot/1ota | HTTPS FTP |
---|
-Related structure data
Related structure data | 1ot6C 1ot9C 1otbC 1otdC 1oteC 1otiC 2phyS S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 13887.591 Da / Num. of mol.: 1 / Mutation: E46Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Halorhodospira halophila (bacteria) / Gene: PYP / Production host: Escherichia coli (E. coli) / References: UniProt: P16113 |
---|---|
#2: Chemical | ChemComp-HC4 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 1.91 Å3/Da / Density % sol: 35.52 % |
---|---|
Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7 Details: ammonium sulphate, sodium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 295 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 14-BM-C / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jan 31, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.1→100 Å / Num. all: 42583 / Num. obs: 42583 / % possible obs: 86 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 9.7 % / Rmerge(I) obs: 0.051 / Net I/σ(I): 20 |
Reflection shell | Resolution: 1.1→1.14 Å / Rmerge(I) obs: 0.2 / Mean I/σ(I) obs: 4.8 / % possible all: 71.7 |
-Processing
Software |
| ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2PHY Resolution: 1.1→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 Stereochemistry target values: derived from 0.95A (110K) E46Q mutant ground state structure
| ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.1→20 Å
| ||||||||||||||||||||
Refine LS restraints |
|