Optimised PDB entry 1ayd



Warnings!

Structure
SpacegroupP 43 21 2
Cell dimensionsa: 63.200 Åb: 63.200 Åc: 76.100 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 8066Test set: 0 (0.0%)
Resolution range29.18 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20000.23100.23100.2159
R-freeNA0.24840.24840.2768
σR-free 0.0087NA0.0097
Z(R-free) 4.32NA-0.98

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.935-0.939-0.936
2nd generation packing quality1-2.315-2.317-1.767
Ramachandran plot appearance1-2.679-2.656-1.918
Chi-1/Chi-2 rotamer normality1-3.060-3.060-1.395
Backbone conformation1-1.679-1.678-0.751
Bond length RMS Z-score20.7700.7700.601
Bond angle RMS Z-score21.6341.6340.818
Total number of bumps3228
Unsatisfied H-bond donors/acceptors310119
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues15
Significantly deteriorated residues2
Changes of all residuesPlot

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