PDB entry 1a8m



Warnings!

Structure
SpacegroupP 41 21 2
Cell dimensionsa: 94.700 Åb: 94.700 Åc: 117.400 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 21396Test set: 0 (0.0%)
Resolution range66.96 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21800.23520.23730.2431
R-free0.24000.22310.28600.2921
σR-free 0.00710.00910.0093
Z(R-free) 12.853.423.52

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.532-1.014-0.989
2nd generation packing quality1-2.792-1.991-1.846
Ramachandran plot appearance1-5.238-3.033-3.301
Chi-1/Chi-2 rotamer normality1-6.243-4.546-4.353
Backbone conformation1-1.707-1.393-1.436
Bond length RMS Z-score20.6730.6290.722
Bond angle RMS Z-score20.9910.9310.925
Total number of bumps3142114104
Unsatisfied H-bond donors/acceptors3866056
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 residues70
Significantly deteriorated residues12
Changes of all residuesPlot

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