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
R0.19200.19170.18790.1869
R-free0.22700.22490.21540.2129
σR-free 0.00490.00470.0046
Z(R-free) -0.240.831.13

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.879-0.762-0.245
2nd generation packing quality1-0.952-0.853-0.496
Ramachandran plot appearance1-0.0070.3300.356
Chi-1/Chi-2 rotamer normality1-0.474-0.123-0.246
Backbone conformation1-0.071-0.231-0.219
Bond length RMS Z-score20.7470.7830.788
Bond angle RMS Z-score20.7490.8420.846
Total number of bumps3363027
Unsatisfied H-bond donors/acceptors3322022
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 residues9
Significantly deteriorated residues8
Changes of all residuesPlot

Download

Links