PDB entry 3pdo



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 45.450 Åb: 97.627 Åc: 99.052 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.95 Å

Experimental data
ReflectionsAll: 32809Test set: 1641 (5.0%)
Resolution range33.26 Å1.95 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19100.19260.17820.1806
R-free0.24000.23680.21590.2168
σR-free 0.00580.00530.0054
Z(R-free) -0.050.550.91

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3060.3520.351
2nd generation packing quality1-0.948-0.723-0.643
Ramachandran plot appearance1-0.2830.2500.153
Chi-1/Chi-2 rotamer normality1-1.718-0.798-0.665
Backbone conformation11.0921.1601.169
Bond length RMS Z-score20.7130.4250.426
Bond angle RMS Z-score20.7690.6560.658
Total number of bumps3633122
Unsatisfied H-bond donors/acceptors31165
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 residues27
Significantly deteriorated residues0
Changes of all residuesPlot

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