PDB entry 4g3y



Structure
SpacegroupH 3
Cell dimensionsa: 153.663 Åb: 153.663 Åc: 99.279 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 26733Test set: 1348 (5.0%)
Resolution range39.79 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18900.20110.18980.1864
R-free0.23500.24350.22350.2217
σR-free 0.00470.00430.0043
R-free Z-score 5.627.266.63

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.053-0.118-0.119
2nd generation packing quality1-0.648-0.642-0.293
Ramachandran plot appearance1-1.779-0.809-0.610
Chi-1/Chi-2 rotamer normality1-3.503-2.742-2.099
Backbone conformation1-0.1110.0660.074
Bond length RMS Z-score20.3790.3510.340
Bond angle RMS Z-score20.6220.6320.607
Total number of bumps31044341
Unsatisfied H-bond donors/acceptors3383534
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 residues3021
Significantly deteriorated residues03
Changes of all residuesPlot Plot

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