PDB entry 3qxd



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 65.001 Åb: 94.870 Åc: 154.090 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 42853Test set: 2165 (5.1%)
Resolution range44.01 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18900.19560.18370.1861
R-free0.22100.20560.22610.2315
σR-free 0.00440.00490.0050
Z(R-free) 11.593.042.52

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.4640.5030.546
2nd generation packing quality1-0.889-0.739-0.609
Ramachandran plot appearance1-0.3460.7150.691
Chi-1/Chi-2 rotamer normality1-0.206-0.300-0.267
Backbone conformation10.9170.7640.888
Bond length RMS Z-score20.2180.5090.519
Bond angle RMS Z-score20.4820.7210.716
Total number of bumps31087970
Unsatisfied H-bond donors/acceptors3382023
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 residues33
Significantly deteriorated residues0
Changes of all residuesPlot

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