Optimised PDB entry 1o9u



Warnings!

Structure
SpacegroupP 61 2 2
Cell dimensionsa: 81.950 Åb: 81.950 Åc: 282.440 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.40 Å

Experimental data
ReflectionsAll: 22658Test set: 0 (0.0%)
Resolution range23.31 Å2.40 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.23300.23410.18550.1871
R-free0.26000.23120.22200.2243
σR-free 0.00690.00660.0067
Z(R-free) 9.742.202.12

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.922-0.804-0.734
2nd generation packing quality1-0.817-0.540-0.278
Ramachandran plot appearance1-2.941-1.723-1.356
Chi-1/Chi-2 rotamer normality1-3.276-2.514-2.091
Backbone conformation1-0.488-0.562-0.366
Bond length RMS Z-score20.3310.4920.486
Bond angle RMS Z-score20.5570.7160.703
Total number of bumps3321112
Unsatisfied H-bond donors/acceptors3222022
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 residues109
Significantly deteriorated residues3
Changes of all residuesPlot

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