[English] 日本語
![](img/lk-miru.gif)
- PDB-4ptj: Ensemble model for Escherichia coli dihydrofolate reductase at 277K -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 4ptj | ||||||
---|---|---|---|---|---|---|---|
Title | Ensemble model for Escherichia coli dihydrofolate reductase at 277K | ||||||
![]() | Dihydrofolate reductase | ||||||
![]() | OXIDOREDUCTASE / ROSSMANN FOLD | ||||||
Function / homology | Dihydrofolate Reductase, subunit A / Dihydrofolate Reductase, subunit A / 3-Layer(aba) Sandwich / Alpha Beta / FOLIC ACID / : / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / : ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Keedy, D.A. / van den Bedem, H. / Sivak, D.A. / Petsko, G.A. / Ringe, D. / Wilson, M.A. / Fraser, J.S. | ||||||
![]() | ![]() Title: Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Authors: Keedy, D.A. / van den Bedem, H. / Sivak, D.A. / Petsko, G.A. / Ringe, D. / Wilson, M.A. / Fraser, J.S. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 14.5 MB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 12.4 MB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Data in XML | ![]() | 872 B | Display | |
---|---|---|---|---|
Data in CIF | ![]() | 188 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4p3qC ![]() 4p3rC ![]() 4pssC ![]() 4pstC ![]() 4pthC ![]() 1rx2S C: citing same article ( S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
| ||||||||
Number of models | 125 |
-
Components
#1: Protein | Mass: 18051.338 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
---|---|---|---|
#2: Chemical | ChemComp-FOL / | ||
#3: Chemical | ChemComp-NAP / | ||
#4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.37 % |
---|---|
Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 17% PEG 400, 20 mM imidazole pH 7.0, 125 mM MnCl2 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 277 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 25, 2005 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9 Å / Relative weight: 1 |
Reflection | Resolution: 1.05→49.4 Å / Num. all: 71782 / Num. obs: 71782 / % possible obs: 98.3 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 9.9 % / Biso Wilson estimate: 10.5 Å2 / Rmerge(I) obs: 0.045 / Net I/σ(I): 40.8 |
Reflection shell | Resolution: 1.05→1.09 Å / Redundancy: 9.1 % / Rmerge(I) obs: 0.458 / Mean I/σ(I) obs: 5.2 / Num. unique all: 6984 / % possible all: 97.2 |
-
Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 1RX2 Resolution: 1.05→49.4 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber / Details: Ensemble refinement as implemented in PHENIX
| |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.05→49.4 Å
| |||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||
LS refinement shell | Resolution: 1.0503→1.0641 Å
|