Optimised PDB entry 5cox



Warnings!

Structure
SpacegroupP 21 21 2
Cell dimensionsa: 180.460 Åb: 134.420 Åc: 119.900 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 50391Test set: 5077 (10.1%)
Resolution range20.00 Å3.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.32100.25360.26140.2532
R-free0.30800.25290.28450.2856
σR-free 0.00360.00400.0040
Z(R-free) 14.287.304.55

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-2.370-2.009-1.922
2nd generation packing quality1-2.713-2.296-2.027
Ramachandran plot appearance1-7.040-5.266-4.643
Chi-1/Chi-2 rotamer normality1-7.736-6.412-4.892
Backbone conformation1-3.021-2.791-2.754
Bond length RMS Z-score20.6420.7240.686
Bond angle RMS Z-score20.8890.8890.886
Total number of bumps31017255305
Unsatisfied H-bond donors/acceptors3321292255
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 residues4
Significantly deteriorated residues1
Changes of all residuesPlot

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