PDB entry 2iam



Structure
SpacegroupC 2 2 2
Cell dimensionsa: 86.391 Åb: 270.542 Åc: 97.396 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 26375Test set: 1329 (5.0%)
Resolution range41.91 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20700.25140.26220.2328
R-free0.27900.31280.29980.2789
σR-free 0.00610.00580.0054
R-free Z-score -1.822.550.09

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.448-0.333-0.202
2nd generation packing quality1-1.512-1.209-1.189
Ramachandran plot appearance1-1.820-1.214-1.203
Chi-1/Chi-2 rotamer normality1-4.567-2.720-1.860
Backbone conformation1-0.452-0.197-0.284
Bond length RMS Z-score20.8220.2970.276
Bond angle RMS Z-score20.9470.5320.515
Total number of bumps31796149
Unsatisfied H-bond donors/acceptors3605973
Full WHAT_CHECK reportsLink LinkLink

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

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