Optimised PDB entry 2adm



Warnings!

Structure
SpacegroupP 21 21 2
Cell dimensionsa: 130.660 Åb: 141.830 Åc: 53.150 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 36114Test set: 0 (0.0%)
Resolution range9.99 Å2.40 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21400.27230.16580.1653
R-free0.27300.28380.21300.2109
σR-free 0.00650.00490.0049
Z(R-free) 13.022.312.61

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.548-0.592-0.491
2nd generation packing quality1-1.416-1.308-0.991
Ramachandran plot appearance1-2.597-0.968-0.729
Chi-1/Chi-2 rotamer normality1-4.085-4.426-2.544
Backbone conformation1-0.270-0.457-0.368
Bond length RMS Z-score20.3750.6950.519
Bond angle RMS Z-score20.7190.9270.792
Total number of bumps3702324
Unsatisfied H-bond donors/acceptors3684138
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 residues148
Significantly deteriorated residues0
Changes of all residuesPlot

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