PDB entry 3vt4



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 153.725 Åb: 41.865 Åc: 42.217 Å
α: 90.00°β: 95.92°γ: 90.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 20138Test set: 1988 (9.9%)
Resolution range35.30 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21200.20770.18890.1912
R-free0.26000.24620.22050.2221
σR-free 0.00550.00490.0050
R-free Z-score 1.892.632.82

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.5260.5660.620
2nd generation packing quality1-0.294-0.1110.203
Ramachandran plot appearance1-0.1590.7530.869
Chi-1/Chi-2 rotamer normality1-0.793-0.418-0.042
Backbone conformation10.6800.6770.640
Bond length RMS Z-score20.3450.3390.344
Bond angle RMS Z-score20.5510.5820.588
Total number of bumps3341513
Unsatisfied H-bond donors/acceptors3111113
Full WHAT_CHECK reportsLink LinkLink

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

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues5122
Significantly deteriorated residues02
Changes of all residuesPlot Plot

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