1paz
From Proteopedia
(New page: 200px<br /><applet load="1paz" size="450" color="white" frame="true" align="right" spinBox="true" caption="1paz, resolution 1.55Å" /> '''REFINEMENT OF THE ST...) |
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| - | [[Image:1paz.gif|left|200px]]<br /><applet load="1paz" size=" | + | [[Image:1paz.gif|left|200px]]<br /><applet load="1paz" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1paz, resolution 1.55Å" /> | caption="1paz, resolution 1.55Å" /> | ||
'''REFINEMENT OF THE STRUCTURE OF PSEUDOAZURIN FROM ALCALIGENES FAECALIS S-6 AT 1.55 ANGSTROMS RESOLUTION'''<br /> | '''REFINEMENT OF THE STRUCTURE OF PSEUDOAZURIN FROM ALCALIGENES FAECALIS S-6 AT 1.55 ANGSTROMS RESOLUTION'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The crystal structure of the redox protein pseudoazurin (123 amino acid | + | The crystal structure of the redox protein pseudoazurin (123 amino acid residues; molecular weight 13,000 daltons) from Alcaligenes faecalis has been refined by fast Fourier restrained least-squares minimization. Cycles of rebuilding were carried out to escape from local minima. Individual isotropic temperature factor values were refined separately for all atoms. The R factor was reduced from 0.400 (for 2647 reflections in the 6.0-2.8 A resolution range) to 0.180 (for all 19,770 reflections in the 9.0-1.55 A resolution range) with a final estimated accuracy in atomic positions of 0.15 A. The final model comprises 917 protein atoms and 93 solvent molecules. The root-mean-square shift of the main-chain atoms between the final and the initial model is 0.94 A (maximum shift 1.8 A). Most of the larger shifts were the result of rebuilding on the graphics system. The average atomic temperature factor, B, is 23.0 A2 for all atoms. Side-chain atoms with high B values were omitted, and their positions checked from difference maps. The three carboxy-terminal residues were omitted from the final model as no single conformation could be assigned from the observed electron density. All other protein atoms were included. |
==About this Structure== | ==About this Structure== | ||
| - | 1PAZ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis] with CU as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | + | 1PAZ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis] with <scene name='pdbligand=CU:'>CU</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PAZ OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Dauter, Z.]] | [[Category: Dauter, Z.]] | ||
[[Category: Petratos, K.]] | [[Category: Petratos, K.]] | ||
| - | [[Category: Wilson, K | + | [[Category: Wilson, K S.]] |
[[Category: CU]] | [[Category: CU]] | ||
[[Category: electron transfer(cuproprotein)]] | [[Category: electron transfer(cuproprotein)]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:26:56 2008'' |
Revision as of 12:26, 21 February 2008
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REFINEMENT OF THE STRUCTURE OF PSEUDOAZURIN FROM ALCALIGENES FAECALIS S-6 AT 1.55 ANGSTROMS RESOLUTION
Overview
The crystal structure of the redox protein pseudoazurin (123 amino acid residues; molecular weight 13,000 daltons) from Alcaligenes faecalis has been refined by fast Fourier restrained least-squares minimization. Cycles of rebuilding were carried out to escape from local minima. Individual isotropic temperature factor values were refined separately for all atoms. The R factor was reduced from 0.400 (for 2647 reflections in the 6.0-2.8 A resolution range) to 0.180 (for all 19,770 reflections in the 9.0-1.55 A resolution range) with a final estimated accuracy in atomic positions of 0.15 A. The final model comprises 917 protein atoms and 93 solvent molecules. The root-mean-square shift of the main-chain atoms between the final and the initial model is 0.94 A (maximum shift 1.8 A). Most of the larger shifts were the result of rebuilding on the graphics system. The average atomic temperature factor, B, is 23.0 A2 for all atoms. Side-chain atoms with high B values were omitted, and their positions checked from difference maps. The three carboxy-terminal residues were omitted from the final model as no single conformation could be assigned from the observed electron density. All other protein atoms were included.
About this Structure
1PAZ is a Single protein structure of sequence from Alcaligenes faecalis with as ligand. Full crystallographic information is available from OCA.
Reference
Refinement of the structure of pseudoazurin from Alcaligenes faecalis S-6 at 1.55 A resolution., Petratos K, Dauter Z, Wilson KS, Acta Crystallogr B. 1988 Dec 1;44 ( Pt 6):628-36. PMID:3271558
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