Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.21800.23450.23450.3011
R-free0.24000.23730.23730.3197
σR-free 0.0074NA0.0100
Z(R-free) 10.28NA8.28

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.532-1.545-1.129
2nd generation packing quality1-3.304-3.288-2.334
Ramachandran plot appearance1-5.824-5.818-3.018
Chi-1/Chi-2 rotamer normality1-8.745-8.746-5.635
Backbone conformation1-1.449-1.450-0.372
Bond length RMS Z-score20.6730.6740.547
Bond angle RMS Z-score20.9910.9920.887
Total number of bumps312313239
Unsatisfied H-bond donors/acceptors3849360
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 residues11
Significantly deteriorated residues81
Changes of all residuesPlot

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