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
R0.23800.27550.21740.2122
R-free0.24600.27390.24710.2440
σR-free 0.00380.00350.0034
Z(R-free) 21.269.378.59

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1840.2470.330
2nd generation packing quality1-0.859-0.433-0.283
Ramachandran plot appearance1-2.349-0.366-0.149
Chi-1/Chi-2 rotamer normality1-4.704-3.097-2.164
Backbone conformation1-0.344-0.309-0.310
Bond length RMS Z-score20.3770.4320.422
Bond angle RMS Z-score20.6610.6920.679
Total number of bumps32004447
Unsatisfied H-bond donors/acceptors3827166
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 residues137
Significantly deteriorated residues4
Changes of all residuesPlot

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