PDB entry 4ivd



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 42.795 Åb: 173.608 Åc: 44.629 Å
α: 90.00°β: 94.53°γ: 90.00°
Resolution1.93 Å

Experimental data
ReflectionsAll: 48312Test set: 2259 (4.7%)
Resolution range41.43 Å1.93 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20200.20370.20370.1908
R-free0.24700.24900.24900.2209
σR-free 0.0052NA0.0046
R-free Z-score -0.02NA2.67

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.828-0.827-0.685
2nd generation packing quality1-0.544-0.538-0.270
Ramachandran plot appearance1-0.990-0.989-0.227
Chi-1/Chi-2 rotamer normality1-0.578-0.580-0.054
Backbone conformation10.0630.0630.233
Bond length RMS Z-score20.4550.4550.308
Bond angle RMS Z-score20.5860.5860.562
Total number of bumps3606044
Unsatisfied H-bond donors/acceptors3222220
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 residues2826
Significantly deteriorated residues1327
Changes of all residuesPlot Plot

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