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
R0.20000.23270.21030.2080
R-freeNA0.22800.25410.2506
σR-free 0.00810.00900.0089
Z(R-free) 7.410.690.76

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.935-0.931-0.541
2nd generation packing quality1-2.399-2.220-1.131
Ramachandran plot appearance1-2.208-1.598-2.058
Chi-1/Chi-2 rotamer normality1-1.776-1.455-0.407
Backbone conformation1-1.786-0.959-0.826
Bond length RMS Z-score20.7700.6690.636
Bond angle RMS Z-score21.6340.8920.850
Total number of bumps351115
Unsatisfied H-bond donors/acceptors31057
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 residues20
Significantly deteriorated residues2
Changes of all residuesPlot

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