Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.19300.18660.16640.1642
R-free0.21800.20730.19310.1926
σR-free 0.00410.00390.0038
Z(R-free) 1.44-0.77-1.32

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.4020.3910.384
2nd generation packing quality1-0.614-0.525-0.593
Ramachandran plot appearance10.5930.5050.516
Chi-1/Chi-2 rotamer normality1-1.078-1.168-1.174
Backbone conformation1-0.411-0.493-0.460
Bond length RMS Z-score20.3250.8400.783
Bond angle RMS Z-score20.5940.9340.893
Total number of bumps3323027
Unsatisfied H-bond donors/acceptors3454442
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 residues199
Significantly deteriorated residues0
Changes of all residuesPlot

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