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Open data
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Basic information
Entry | Database: PDB / ID: 3mma | |||||||||
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Title | Dissimilatory sulfite reductase phosphate complex | |||||||||
![]() | (Sulfite reductase, dissimilatory-type subunit ...) x 2 | |||||||||
![]() | OXIDOREDUCTASE / alpha-beta-protein | |||||||||
Function / homology | ![]() dissimilatory sulfite reductase system / dissimilatory sulfite reductase activity / sulfite reductase (ferredoxin) activity / sulfite reductase complex (NADPH) / sulfite reductase activity / sulfate assimilation / 4 iron, 4 sulfur cluster binding / electron transfer activity / heme binding / membrane / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Parey, K. / Warkentin, E. / Kroneck, P.M.H. / Ermler, U. | |||||||||
![]() | ![]() Title: Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus. Authors: Parey, K. / Warkentin, E. / Kroneck, P.M. / Ermler, U. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 325.5 KB | Display | ![]() |
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PDB format | ![]() | 264.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3mm5C ![]() 3mm6C ![]() 3mm7C ![]() 3mm8C ![]() 3mm9C ![]() 3mmbC ![]() 3c7b C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Sulfite reductase, dissimilatory-type subunit ... , 2 types, 4 molecules ADBE
#1: Protein | Mass: 47589.730 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() #2: Protein | Mass: 41621.867 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() |
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-Non-polymers , 4 types, 192 molecules ![](data/chem/img/SRM.gif)
![](data/chem/img/SF4.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SF4.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-SRM / #4: Chemical | ChemComp-SF4 / #5: Chemical | ChemComp-PO4 / | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.52 Å3/Da / Density % sol: 51.2 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 20% PEG 4000, 100 mM Na-citrate, 0.2 M NaCl, 5% (v/v) 2-propanol, 50 mM PO43-, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Apr 20, 2007 |
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9998 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→50 Å / % possible obs: 95.9 % / Redundancy: 3.24 % / Rmerge(I) obs: 0.161 / Rsym value: 0.082 / Net I/σ(I): 10.14 |
Reflection shell | Resolution: 2.31→2.45 Å / Redundancy: 2.82 % / Rmerge(I) obs: 0.756 / Mean I/σ(I) obs: 2.45 / Num. unique all: 11623 / Rsym value: 0.533 / % possible all: 92.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3C7B ![]() 3c7b Resolution: 2.3→48.34 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.929 / SU B: 17.379 / SU ML: 0.183 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: Restrained / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.34 / ESU R Free: 0.23 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.395 Å2
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Refinement step | Cycle: LAST / Resolution: 2.3→48.34 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.36 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Origin x: 57.227 Å / Origin y: 17.148 Å / Origin z: 38.973 Å
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Refinement TLS group |
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