Optimised PDB entry 4ivc



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 42.329 Åb: 172.868 Åc: 44.124 Å
α: 90.00°β: 94.75°γ: 90.00°
Resolution2.35 Å

Experimental data
ReflectionsAll: 25708Test set: 1205 (4.7%)
Resolution range42.62 Å2.35 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19700.19930.19100.1887
R-free0.26300.26790.23620.2356
σR-free 0.00770.00680.0068
Z(R-free) 0.883.973.60

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.747-0.755-0.768
2nd generation packing quality1-0.275-0.165-0.075
Ramachandran plot appearance1-2.680-2.044-2.019
Chi-1/Chi-2 rotamer normality1-2.939-2.582-2.672
Backbone conformation1-0.610-0.640-0.628
Bond length RMS Z-score20.4790.5800.576
Bond angle RMS Z-score20.5920.7640.763
Total number of bumps3682438
Unsatisfied H-bond donors/acceptors3191818
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 residues18
Significantly deteriorated residues4
Changes of all residuesPlot

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