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Open data
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Basic information
Entry | Database: PDB / ID: 1kf7 | ||||||
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Title | Atomic Resolution Structure of RNase A at pH 8.0 | ||||||
![]() | pancreatic ribonuclease | ||||||
![]() | HYDROLASE / RNase A / titration / pH / crystal / soaking | ||||||
Function / homology | ![]() pancreatic ribonuclease / ribonuclease A activity / RNA nuclease activity / nucleic acid binding / lyase activity / defense response to Gram-positive bacterium / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Berisio, R. / Sica, F. / Lamzin, V.S. / Wilson, K.S. / Zagari, A. / Mazzarella, L. | ||||||
![]() | ![]() Title: Atomic resolution structures of ribonuclease A at six pH values. Authors: Berisio, R. / Sica, F. / Lamzin, V.S. / Wilson, K.S. / Zagari, A. / Mazzarella, L. #1: ![]() Title: Protein titration in the crystal state Authors: Berisio, R. / Lamzin, V.S. / Sica, F. / Wilson, K.S. / Zagari, A. / Mazzarella, L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 73.8 KB | Display | ![]() |
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PDB format | ![]() | 54.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 401.1 KB | Display | ![]() |
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Full document | ![]() | 401.3 KB | Display | |
Data in XML | ![]() | 9.8 KB | Display | |
Data in CIF | ![]() | 14.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1kf2C ![]() 1kf3C ![]() 1kf4C ![]() 1kf5C ![]() 1kf8C ![]() 7rsaS 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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1 |
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Unit cell |
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Components
#1: Protein | Mass: 13708.326 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.19 Å3/Da / Density % sol: 43.74 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: liquid diffusion / pH: 8 Details: 2-propanol, pH 8.0, LIQUID DIFFUSION, temperature 298.0K | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / Method: batch method / Details: Tilton Jr., R.F., (1992) Biochemistry, 31, 2469. | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: AREA DETECTOR |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 1.15→30 Å / Num. all: 41972 / Num. obs: 41972 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 4.4 % / Biso Wilson estimate: 13.2 Å2 / Rmerge(I) obs: 0.035 / Net I/σ(I): 19.7 |
Reflection shell | Resolution: 1.15→1.17 Å / Rmerge(I) obs: 0.035 / Mean I/σ(I) obs: 3.8 / % possible all: 97.8 |
Reflection | *PLUS |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7rsa Resolution: 1.15→30 Å / Num. parameters: 11299 / Num. restraintsaints: 13940 / σ(I): 0 / Stereochemistry target values: ENGH AND HUBER
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Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-22 | ||||||||||||
Refine analyze | Num. disordered residues: 23 / Occupancy sum hydrogen: 901 / Occupancy sum non hydrogen: 1139.84 | ||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.15→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.15→1.2 Å /
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Software | *PLUS Name: SHELXL / Version: 96 / Classification: refinement | ||||||||||||
Refinement | *PLUS Num. reflection all: 41956 / Rfactor Rwork: 0.106 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS | ||||||||||||
Refine LS restraints | *PLUS
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