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
R0.18900.19890.19910.1879
R-free0.23500.24020.22450.2183
σR-free 0.00650.00610.0059
Z(R-free) 4.127.005.75

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.053-0.204-0.079
2nd generation packing quality1-0.350-0.215-0.064
Ramachandran plot appearance1-1.729-0.509-0.308
Chi-1/Chi-2 rotamer normality1-4.914-2.938-3.270
Backbone conformation10.6781.0081.045
Bond length RMS Z-score20.3790.3870.446
Bond angle RMS Z-score20.6220.6590.718
Total number of bumps3941823
Unsatisfied H-bond donors/acceptors3413631
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 residues28
Significantly deteriorated residues1
Changes of all residuesPlot

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