Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.18900.19900.19650.1929
R-free0.23500.24090.22310.2223
σR-free 0.00660.00610.0061
Z(R-free) 3.976.666.00

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.071-0.185-0.205
2nd generation packing quality1-0.721-0.598-0.447
Ramachandran plot appearance1-2.085-0.888-0.468
Chi-1/Chi-2 rotamer normality1-5.104-3.152-2.869
Backbone conformation10.2080.5730.487
Bond length RMS Z-score20.3790.3880.376
Bond angle RMS Z-score20.6220.6610.648
Total number of bumps394149
Unsatisfied H-bond donors/acceptors3413632
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 residues14
Significantly deteriorated residues0
Changes of all residuesPlot

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