+
Open data
-
Basic information
Entry | Database: PDB / ID: 6ogm | ||||||
---|---|---|---|---|---|---|---|
Title | Crystal structure of apo unFused 4-OT | ||||||
![]() | (4-oxalocrotonate tautomerase) x 2 | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() | ||||||
Biological species | Burkholderia lata | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Medellin, B.P. / Whitman, C.P. / Zhang, Y.J. | ||||||
Funding support | ![]()
| ||||||
![]() | ![]() Title: Structural, Kinetic, and Mechanistic Analysis of an Asymmetric 4-Oxalocrotonate Tautomerase Trimer. Authors: Baas, B.J. / Medellin, B.P. / LeVieux, J.A. / de Ruijter, M. / Zhang, Y.J. / Brown, S.D. / Akiva, E. / Babbitt, P.C. / Whitman, C.P. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 149.8 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 117.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 509.9 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 515.8 KB | Display | |
Data in XML | ![]() | 30.8 KB | Display | |
Data in CIF | ![]() | 45.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6blmS S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
2 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 6638.694 Da / Num. of mol.: 6 / Fragment: Subunit beta (UNP residues 67-128) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 17760 / DSM 23089 / LMG 22485 / NCIMB 9086 / R18194 / 383 Gene: Bcep18194_B2498 Production host: ![]() ![]() References: UniProt: Q392K7 #2: Protein | Mass: 6590.475 Da / Num. of mol.: 6 / Fragment: Subunit alpha (UNP residues 2-66) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 17760 / DSM 23089 / LMG 22485 / NCIMB 9086 / R18194 / 383 Gene: Bcep18194_B2498 Production host: ![]() ![]() References: UniProt: Q392K7 #3: Chemical | #4: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 1.95 Å3/Da / Density % sol: 36.97 % |
---|---|
Crystal grow | Temperature: 298.15 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 200 mM magnesium acetate, 28% PEG3550 / PH range: 6-7.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Feb 15, 2018 |
Radiation | Monochromator: Double crystal cryo-cooled Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.033 Å / Relative weight: 1 |
Reflection | Resolution: 1.86→47.88 Å / Num. obs: 50873 / % possible obs: 97.38 % / Redundancy: 3.6 % / CC1/2: 0.991 / Rpim(I) all: 0.07 / Rsym value: 0.117 / Net I/σ(I): 9.54 |
Reflection shell | Resolution: 1.86→1.93 Å / Redundancy: 3.5 % / Mean I/σ(I) obs: 1.97 / Num. unique obs: 17024 / CC1/2: 0.726 / Rpim(I) all: 0.313 / Rsym value: 0.511 / % possible all: 93.3 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB entry 6BLM Resolution: 1.865→47.88 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 22.37
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.865→47.88 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
|