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
R0.18400.18190.16330.1631
R-free0.22500.21750.19200.1916
σR-free 0.00310.00280.0028
Z(R-free) -0.290.890.93

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.299-0.243-0.227
2nd generation packing quality1-1.179-1.180-1.172
Ramachandran plot appearance1-1.218-0.849-0.797
Chi-1/Chi-2 rotamer normality1-1.292-0.758-0.382
Backbone conformation1-0.700-0.644-0.657
Bond length RMS Z-score20.6080.8140.810
Bond angle RMS Z-score20.7120.8930.878
Total number of bumps3776267
Unsatisfied H-bond donors/acceptors3788376
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 residues124
Significantly deteriorated residues2
Changes of all residuesPlot

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