PDB entry 2ipk



Structure
SpacegroupH 3
Cell dimensionsa: 171.980 Åb: 171.980 Åc: 121.129 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 67968Test set: 3438 (5.1%)
Resolution range32.50 Å2.19 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20300.19590.16400.1695
R-free0.22400.21590.18460.1906
σR-free 0.00370.00310.0033
Z(R-free) 4.383.133.12

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.0500.0470.003
2nd generation packing quality1-1.324-1.174-0.910
Ramachandran plot appearance1-0.9910.087-0.046
Chi-1/Chi-2 rotamer normality1-0.797-0.895-0.581
Backbone conformation10.3810.3930.357
Bond length RMS Z-score20.3160.4290.430
Bond angle RMS Z-score20.6450.6660.663
Total number of bumps3935847
Unsatisfied H-bond donors/acceptors3243436
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 residues248
Significantly deteriorated residues0
Changes of all residuesPlot

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