Optimised PDB entry 2iam



Structure
SpacegroupC 2 2 2
Cell dimensionsa: 86.391 Åb: 270.542 Åc: 97.396 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 26375Test set: 1329 (5.0%)
Resolution range41.91 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20700.24850.24460.2467
R-free0.27900.31200.28070.2832
σR-free 0.00860.00770.0078
Z(R-free) -2.430.770.74

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.452-0.214-0.157
2nd generation packing quality1-1.546-0.956-0.805
Ramachandran plot appearance1-2.121-1.031-1.009
Chi-1/Chi-2 rotamer normality1-6.586-3.648-2.677
Backbone conformation10.3670.7460.827
Bond length RMS Z-score20.8220.3740.369
Bond angle RMS Z-score20.9470.6020.592
Total number of bumps31731518
Unsatisfied H-bond donors/acceptors3585859
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 residues7
Significantly deteriorated residues9
Changes of all residuesPlot

Download

Links