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Open data
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Basic information
Entry | Database: PDB / ID: 1nwi | ||||||
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Title | Crystal structure of CO-HbI transformed to an unligated state | ||||||
![]() | globin I | ||||||
![]() | OXYGEN STORAGE/TRANSPORT / Invertebrate / hemoglobin / allostery / cooperativity / oxygen-binding / oxygen transport / heme protein / OXYGEN STORAGE-TRANSPORT COMPLEX | ||||||
Function / homology | ![]() oxygen carrier activity / oxygen binding / response to hypoxia / heme binding / identical protein binding / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Knapp, J.E. / Royer JR., W.E. | ||||||
![]() | ![]() Title: Ligand-linked structural transitions in crystals of a cooperative dimeric hemoglobin. Authors: Knapp, J.E. / Royer Jr., W.E. #1: ![]() Title: High resolution crystallographic analysis of a co-operative dimeric hemoglobin Authors: Royer JR., W.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 117 KB | Display | ![]() |
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PDB format | ![]() | 94.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.8 MB | Display | ![]() |
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Full document | ![]() | 1.8 MB | Display | |
Data in XML | ![]() | 24.9 KB | Display | |
Data in CIF | ![]() | 32.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1nwnC ![]() 1nxfC ![]() 3sdhS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Details | The biological assembly is a dimer formed either from the A and B chains or from the C and D chains. |
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Components
#1: Protein | Mass: 15966.319 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-HEM / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.06 % |
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Crystal grow | Temperature: 296 K / Method: small tubes / pH: 7.5 Details: Sodium and Potassium phosphate, pH 7.5, SMALL TUBES, temperature 296K |
Crystal grow | *PLUS Method: unknownDetails: Summerford, C.M., (1995) Protein Eng., 8, 593., Royer, W.E.,Jr. (1994) J. Mol. Biol., 235, 657. |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Jan 29, 2001 / Details: Yale Mirrors |
Radiation | Monochromator: Yale mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→40 Å / Num. all: 19646 / Num. obs: 19646 / % possible obs: 95.3 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 3.8 % / Biso Wilson estimate: 25.7 Å2 / Rmerge(I) obs: 0.077 / Rsym value: 0.077 / Net I/σ(I): 11.5 |
Reflection shell | Resolution: 2.5→2.59 Å / Rmerge(I) obs: 0.239 / Rsym value: 0.239 / % possible all: 85.6 |
Reflection | *PLUS Num. measured all: 75147 |
Reflection shell | *PLUS Highest resolution: 2.5 Å / % possible obs: 85.5 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 3SDH Resolution: 2.5→30.95 Å / Rfactor Rfree error: 0.007 / Isotropic thermal model: GROUP / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 32.9588 Å2 / ksol: 0.320278 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.9 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.5→30.95 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.5→2.59 Å / Rfactor Rfree error: 0.026 / Total num. of bins used: 10
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Xplor file |
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Refinement | *PLUS Highest resolution: 2.5 Å / Lowest resolution: 40 Å | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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