PDB entry 2icw



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 61.516 Åb: 86.822 Åc: 116.981 Å
α: 110.27°β: 92.32°γ: 107.87°
Resolution2.41 Å

Experimental data
ReflectionsAll: 78299Test set: 3944 (5.0%)
Resolution range47.79 Å2.41 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.24200.24300.20610.2107
R-free0.28800.28670.24680.2504
σR-free 0.00460.00390.0040
Z(R-free) 8.577.648.10

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0960.3560.450
2nd generation packing quality1-1.173-0.720-0.446
Ramachandran plot appearance1-2.649-0.974-0.686
Chi-1/Chi-2 rotamer normality1-3.132-2.541-1.492
Backbone conformation10.3200.3590.310
Bond length RMS Z-score20.3290.3900.341
Bond angle RMS Z-score20.6130.6350.592
Total number of bumps3383160145
Unsatisfied H-bond donors/acceptors3142115117
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 residues613
Significantly deteriorated residues8
Changes of all residuesPlot

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