Download MendeleyHofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions
Kowacz, M., Mukhopadhyay, A., Carvalho, A.L., Esperanca, J.M.S.S., Romao, M.J., Rebelo, L.P.N.(2012) CrystEngComm 14: 4912
4AGA | pdb_00004aga
Hofmeister effects of ionic liquids in protein crystallization: direct and water-mediated interactions
- PDB DOI: https://doi.org/10.2210/pdb4AGA/pdb
- Classification: HYDROLASE
- Organism(s): Gallus gallus
- Mutation(s): No
- Deposited: 2012-01-25 Released: 2012-07-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.211 (Depositor), 0.210 (DCC)
- R-Value Work: 0.168 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.170 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.3 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| LYSOZYME C | 129 | Gallus gallus | Mutation(s): 0 EC: 3.2.1.17 |  | |
UniProt | |||||
Find proteins for P00698 (Gallus gallus) Explore P00698 Go to UniProtKB: P00698 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00698 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CHT Query on CHT | D [auth A] | CHOLINE ION C5 H14 N O OEYIOHPDSNJKLS-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | E [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
| CL Query on CL | B [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| NA Query on NA | C [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.211 (Depositor), 0.210 (DCC)
- R-Value Work: 0.168 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.170 (Depositor)
Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 78.35 | α = 90 |
| b = 78.35 | β = 90 |
| c = 36.9 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| XDS | data scaling |
| REFMAC | phasing |
Entry History
Deposition Data
- Released Date: 2012-07-18 Deposition Author(s): Mukhopadhyay, A., Carvalho, A.L., Romao, M.J.
Revision History (Full details and data files)
- Version 1.0: 2012-07-18
Type: Initial release - Version 1.1: 2019-05-08
Changes: Data collection, Experimental preparation, Other - Version 1.2: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Other, Refinement description - Version 1.3: 2024-11-13
Changes: Structure summary
