Optimised PDB entry 1r5i



Warnings!

Structure
SpacegroupI 2 2 2
Cell dimensionsa: 138.286 Åb: 178.814 Åc: 179.554 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 71425Test set: 5067 (7.1%)
Resolution range42.23 Å2.49 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.23800.26940.20470.2053
R-free0.24600.26890.24030.2373
σR-free 0.00370.00350.0035
Z(R-free) 17.658.099.17

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3330.4030.459
2nd generation packing quality1-0.790-0.429-0.190
Ramachandran plot appearance1-2.258-0.407-0.086
Chi-1/Chi-2 rotamer normality1-4.501-3.909-2.852
Backbone conformation10.1060.0300.095
Bond length RMS Z-score20.3770.7080.562
Bond angle RMS Z-score20.6610.9330.794
Total number of bumps32006555
Unsatisfied H-bond donors/acceptors3816962
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 residues190
Significantly deteriorated residues1
Changes of all residuesPlot

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