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 conservative optimisationAfter full optimisation
R0.20000.23330.21230.2088
R-freeNA0.23280.26580.2515
σR-free 0.00580.00670.0063
R-free Z-score 9.64-0.461.10

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.935-0.974-0.589
2nd generation packing quality1-2.399-2.356-1.217
Ramachandran plot appearance1-2.208-2.114-1.698
Chi-1/Chi-2 rotamer normality1-1.776-1.7210.087
Backbone conformation1-1.786-0.924-0.687
Bond length RMS Z-score20.7700.6040.601
Bond angle RMS Z-score21.6340.8500.812
Total number of bumps351617
Unsatisfied H-bond donors/acceptors31066
Full WHAT_CHECK reportsLink LinkLink

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

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues2422
Significantly deteriorated residues22
Changes of all residuesPlot Plot

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