Optimised PDB entry 2ig7



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 52.657 Åb: 109.208 Åc: 157.952 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.80 Å

Experimental data
ReflectionsAll: 83039Test set: 2110 (2.5%)
Resolution range29.94 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19200.19140.17830.1766
R-free0.22700.22500.20070.1974
σR-free 0.00490.00440.0043
Z(R-free) -0.351.682.02

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.879-0.757-0.202
2nd generation packing quality1-1.104-0.900-0.596
Ramachandran plot appearance1-0.6480.2550.221
Chi-1/Chi-2 rotamer normality1-1.277-0.437-0.570
Backbone conformation1-0.880-0.749-0.700
Bond length RMS Z-score20.7470.5900.589
Bond angle RMS Z-score20.7490.7440.746
Total number of bumps3301822
Unsatisfied H-bond donors/acceptors3331923
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 residues64
Significantly deteriorated residues7
Changes of all residuesPlot

Download

Links