PDB entry 3onu



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 65.217 Åb: 79.111 Åc: 69.292 Å
α: 90.00°β: 99.65°γ: 90.00°
Resolution1.40 Å

Experimental data
ReflectionsAll: 121934Test set: 6141 (5.0%)
Resolution range22.69 Å1.40 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15000.14920.12200.1297
R-free0.16700.16550.15100.1584
σR-free 0.00210.00190.0020
Z(R-free) 21.6211.2612.45

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.136-1.102-1.142
2nd generation packing quality1-1.621-1.589-1.404
Ramachandran plot appearance1-0.212-0.080-0.044
Chi-1/Chi-2 rotamer normality10.7490.6930.638
Backbone conformation10.9751.0691.091
Bond length RMS Z-score20.4800.4470.458
Bond angle RMS Z-score20.6690.6670.658
Total number of bumps3724221
Unsatisfied H-bond donors/acceptors3312729
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 residues275
Significantly deteriorated residues2
Changes of all residuesPlot

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