PDB entry 4i6w



Structure
SpacegroupI 41 3 2
Cell dimensionsa: 226.100 Åb: 226.100 Åc: 226.100 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.66 Å

Experimental data
ReflectionsAll: 113312Test set: 2505 (2.2%)
Resolution range38.78 Å1.66 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19300.18760.16590.1659
R-free0.21800.20940.19140.1934
σR-free 0.00420.00380.0039
R-free Z-score 1.19-0.47-0.97

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.4020.3880.404
2nd generation packing quality1-0.365-0.340-0.333
Ramachandran plot appearance10.6910.5790.574
Chi-1/Chi-2 rotamer normality1-0.352-0.190-0.346
Backbone conformation10.1930.1800.216
Bond length RMS Z-score20.3250.8020.751
Bond angle RMS Z-score20.5940.9100.881
Total number of bumps3364240
Unsatisfied H-bond donors/acceptors3302830
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 residues206157
Significantly deteriorated residues36
Changes of all residuesPlot Plot

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