Anisotropic refinement
From Proteopedia
(Difference between revisions)
(→Analysis) |
m |
||
| Line 17: | Line 17: | ||
==Some PDB entries that include ANISOU records== | ==Some PDB entries that include ANISOU records== | ||
* [[3kg2]] | * [[3kg2]] | ||
| + | * [[4un3]], [[4un4]], and [[4un5]] | ||
==Related== | ==Related== | ||
Current revision
Anisotropic refinement is included among the strategies for macromolecular refinement.
Contents |
Analysis
PARVATI - Protein Anisotropic Refinement Validation and Analysis Tool. The PARVATI server accepts a PDB file containing ANISOU records or TLS records.
ANISOU records
- The ANISOU records present the anisotropic temperature factors.
- The anisotropic temperature factors (columns 29 - 70) are scaled by a factor of 10**4 (Angstroms**2) and are presented as integers.
- The anisotropic temperature factors are stored in the same coordinate frame as the atomic coordinate records.
- ANISOU values are listed only if they have been provided by the depositor. The depositor provides ANISOU records, PDB verifies their format.
- The anisotropic temperature factors are related to the corresponding ATOM/HETATM isotropic temperature factors as B(eq), as described in the ATOM and HETATM sections.
Some PDB entries that include ANISOU records
Related
TLSView: A Molecular Viewer for TLS Rigid Body Motion
See Also
References
- Merritt EA. Expanding the model: anisotropic displacement parameters in protein structure refinement. Acta Crystallogr D Biol Crystallogr. 1999 Jun;55(Pt 6):1109-17. PMID:10329772
- Merritt EA. Comparing anisotropic displacement parameters in protein structures. Acta Crystallogr D Biol Crystallogr. 1999 Dec;55(Pt 12):1997-2004. PMID:10666575
- Painter J, Merritt EA. A molecular viewer for the analysis of TLS rigid-body motion in macromolecules. Acta Crystallogr D Biol Crystallogr. 2005 Apr;61(Pt 4):465-71. Epub 2005, Mar 24. PMID:15809496 doi:10.1107/S0907444905001897
