PDB entry 4i5b



Structure
SpacegroupC 2 2 21
Cell dimensionsa: 95.811 Åb: 111.381 Åc: 211.544 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.12 Å

Experimental data
ReflectionsAll: 58721Test set: 2967 (5.1%)
Resolution range49.28 Å2.12 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19900.21020.19040.1887
R-free0.23700.24010.21980.2179
σR-free 0.00440.00400.0040
Z(R-free) 4.323.723.67

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.4240.3210.328
2nd generation packing quality1-0.539-0.558-0.536
Ramachandran plot appearance10.6510.7070.822
Chi-1/Chi-2 rotamer normality1-0.820-1.218-0.884
Backbone conformation11.0020.9760.967
Bond length RMS Z-score20.3700.8370.815
Bond angle RMS Z-score20.6000.8860.880
Total number of bumps3685259
Unsatisfied H-bond donors/acceptors3272831
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 residues97
Significantly deteriorated residues0
Changes of all residuesPlot

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