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
R0.18900.20000.18940.1888
R-free0.22100.21100.22820.2308
σR-free 0.00320.00350.0035
R-free Z-score 16.035.774.80

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.4640.5390.603
2nd generation packing quality1-0.909-0.776-0.616
Ramachandran plot appearance1-0.1120.8460.911
Chi-1/Chi-2 rotamer normality1-0.211-0.374-0.007
Backbone conformation10.1390.1680.127
Bond length RMS Z-score20.2180.4730.473
Bond angle RMS Z-score20.4820.6950.687
Total number of bumps31088476
Unsatisfied H-bond donors/acceptors3232221
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

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