Journal:Acta Cryst D:S2059798322002157

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β<StructureSection load='' size='450' side='right' scene='90/905553/Cv/2' caption=''>
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<StructureSection load='' size='450' side='right' scene='90/905553/Cv/2' caption=''>
===The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case study report===
===The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case study report===
<big>Irène Barbarin-Bocahu, Marc Graille</big> <ref>doi: 10.1107/S2059798322002157</ref>
<big>Irène Barbarin-Bocahu, Marc Graille</big> <ref>doi: 10.1107/S2059798322002157</ref>
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The ''Kl''Nmd4 protein is made of a three layered 𝛼/β/𝛼 core consisting in a central five stranded parallel β-sheet surrounded by six 𝛼-helices (𝛼1 to 𝛼4, 𝛼10 and 𝛼11) on one side and five (𝛼5 to 𝛼9) on the other side. <scene name='90/905553/Cv/4'>Ribbon representation of the KlNmd4 crystal structure</scene> colored from its N-terminal (blue) to its C-terminal (red) extremities.
The ''Kl''Nmd4 protein is made of a three layered 𝛼/β/𝛼 core consisting in a central five stranded parallel β-sheet surrounded by six 𝛼-helices (𝛼1 to 𝛼4, 𝛼10 and 𝛼11) on one side and five (𝛼5 to 𝛼9) on the other side. <scene name='90/905553/Cv/4'>Ribbon representation of the KlNmd4 crystal structure</scene> colored from its N-terminal (blue) to its C-terminal (red) extremities.
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<scene name='90/905553/Cv/8'>Superposition of the full-length KlNmd4 AlphaFold model onto the KlNmd4 crystal structure</scene> (beige). The full-length KlNmd4 AlphaFold model is colored according to the pLDDT values:
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*pLDDT > 90 <span class="text-blue">'''blue'''</span>
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*70 < pLDDT < 90 <span class="bg-lightcyan">cyan</span>
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*50 < pLDDT < 70 <span class="bg-yellow">yellow</span>
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*pLDDT < 50 <span class="bg-orange">orange</span>
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The region 81-114 from the KlNmd4 crystal structure is highlighted in <span class="bg-pink">pink</span>.
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Morph representing superposition of the full-length KlNmd4 AlphaFold model onto the KlNmd4 crystal structure:
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*1) <scene name='90/905553/Cv/9'>KlNmd4 crystal structure</scene> in <span class="bg-lightgreen">green</span>.
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*2) <scene name='90/905553/Cv/10'>KlNmd4 AlphaFold model</scene> in <span class="text-red">'''red'''</span>.
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*3) <scene name='90/905553/Cv/11'>Superposition of the full-length KlNmd4 AlphaFold model onto the KlNmd4 crystal structure</scene>.
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<jmol><jmolButton>
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<script>if (_animating); anim pause;set echo bottom left; color echo white; font echo 20 sansserif;echo Animation Paused; else; anim resume; set echo off;endif;</script>
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<text>Click here to Stop Animation before next scene.</text>
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</jmolButton></jmol>
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*4) <scene name='90/905553/Cv/12'>This scene without animation</scene>.
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'''PDB reference:''' ''Kluyveromyces lactis'' Nmd4, [[7qhy]].
<b>References</b><br>
<b>References</b><br>

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