PDB entry 3en5



Structure
SpacegroupP 1
Cell dimensionsa: 42.296 Åb: 62.985 Åc: 74.144 Å
α: 101.14°β: 92.15°γ: 90.12°
Resolution2.66 Å

Experimental data
ReflectionsAll: 21183Test set: 1080 (5.1%)
Resolution range43.14 Å2.66 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20400.20290.21250.2051
R-free0.24800.25350.24180.2300
σR-free 0.00770.00740.0070
Z(R-free) -1.301.782.30

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1NANA-1.571
2nd generation packing quality1NANA-0.143
Ramachandran plot appearance1-1.551-0.489-0.404
Chi-1/Chi-2 rotamer normality1-2.440-0.849-0.945
Backbone conformation1-0.259-0.191-0.245
Bond length RMS Z-score20.6130.3710.370
Bond angle RMS Z-score20.7410.5950.604
Total number of bumps3443424
Unsatisfied H-bond donors/acceptors3171519
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 residues6
Significantly deteriorated residues0
Changes of all residuesPlot

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