PDB entry 2vck



Structure
SpacegroupP 1
Cell dimensionsa: 53.560 Åb: 67.570 Åc: 81.280 Å
α: 92.26°β: 109.07°γ: 106.58°
Resolution1.80 Å

Experimental data
ReflectionsAll: 91990Test set: 4819 (5.2%)
Resolution range49.19 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18400.18180.17160.1680
R-free0.22500.21930.19680.1958
σR-free 0.00220.00200.0020
R-free Z-score -1.273.802.15

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.387-0.361-0.329
2nd generation packing quality1-1.287-1.251-1.264
Ramachandran plot appearance1-1.140-0.775-0.642
Chi-1/Chi-2 rotamer normality1-1.147-0.571-0.343
Backbone conformation1-1.444-1.459-1.422
Bond length RMS Z-score20.6080.5800.665
Bond angle RMS Z-score20.7120.7710.804
Total number of bumps3777264
Unsatisfied H-bond donors/acceptors3394037
Full WHAT_CHECK reportsLink LinkLink

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

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