[English] 日本語
![](img/lk-miru.gif)
- PDB-6tf8: Structure of the engineered artificial aldolase I133F RA95.5-8F w... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 6tf8 | ||||||
---|---|---|---|---|---|---|---|
Title | Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one | ||||||
![]() | RA95.5-8F_133F | ||||||
![]() | LYASE / Artificial enzyme / aldolase | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Mori, T. / Macdonald, D.S. | ||||||
![]() | ![]() Title: Engineered Artificial Carboligases Facilitate Regioselective Preparation of Enantioenriched Aldol Adducts. Authors: Macdonald, D.S. / Garrabou, X. / Klaus, C. / Verez, R. / Mori, T. / Hilvert, D. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 212.6 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 169.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 448.7 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 454.1 KB | Display | |
Data in XML | ![]() | 39.5 KB | Display | |
Data in CIF | ![]() | 55.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6tfaC ![]() 5aouS S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
2 | ![]()
| ||||||||
3 | ![]()
| ||||||||
4 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 29061.488 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Production host: ![]() ![]() #2: Water | ChemComp-HOH / | Has ligand of interest | Y | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.02 Å3/Da / Density % sol: 39.2 % |
---|---|
Crystal grow | Temperature: 298 K / Method: evaporation, recrystallization / Details: 0.2 M NH4CL, 20% PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Aug 13, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→47.324 Å / Num. obs: 73792 / % possible obs: 99.2 % / Redundancy: 6.5 % / Rmerge(I) obs: 0.096 / Net I/σ(I): 13.1 |
Reflection shell | Resolution: 1.9→2.02 Å / Redundancy: 5.35 % / Rmerge(I) obs: 0.472 / Mean I/σ(I) obs: 3.22 / Num. unique obs: 11411 / CC1/2: 0.611 / Rrim(I) all: 0.523 / % possible all: 96.1 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 5AOU Resolution: 1.903→47.324 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 23.74 / Stereochemistry target values: ML
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 62.8 Å2 / Biso mean: 24.8292 Å2 / Biso min: 9.63 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.903→47.324 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
|