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 conservative optimisationAfter full optimisation
R0.23800.23970.20720.2081
R-free0.24600.25010.24000.2396
σR-free 0.00370.00350.0035
Z(R-free) 17.439.119.57

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3400.4560.549
2nd generation packing quality1-0.783-0.494-0.235
Ramachandran plot appearance1-2.024-0.643-0.271
Chi-1/Chi-2 rotamer normality1-3.009-2.285-1.048
Backbone conformation10.6090.4960.542
Bond length RMS Z-score20.3770.5210.379
Bond angle RMS Z-score20.6610.7630.625
Total number of bumps32108258
Unsatisfied H-bond donors/acceptors3807660
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 residues157
Significantly deteriorated residues1
Changes of all residuesPlot

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