Optimised PDB entry 2g9h



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 150.395 Åb: 99.933 Åc: 72.917 Å
α: 90.00°β: 92.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 72140Test set: 2949 (4.1%)
Resolution range29.78 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21300.23680.20050.2052
R-free0.25200.27020.23530.2348
σR-free 0.00500.00430.0043
Z(R-free) 1.580.051.44

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.071-0.078-0.038
2nd generation packing quality1-1.306-1.325-1.256
Ramachandran plot appearance1-0.489-0.497-0.261
Chi-1/Chi-2 rotamer normality1-3.419-2.909-2.041
Backbone conformation1-0.071-0.136-0.076
Bond length RMS Z-score20.5360.7420.505
Bond angle RMS Z-score20.7210.8950.734
Total number of bumps3493529
Unsatisfied H-bond donors/acceptors3202024
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 residues168
Significantly deteriorated residues0
Changes of all residuesPlot

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