Optimised PDB entry 2ipk



Structure
SpacegroupH 3
Cell dimensionsa: 171.980 Åb: 171.980 Åc: 121.129 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 67968Test set: 3438 (5.1%)
Resolution range32.50 Å2.19 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20300.26230.16140.1626
R-free0.22400.27600.18540.1853
σR-free 0.00470.00320.0032
Z(R-free) 7.401.842.31

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.132-0.021-0.033
2nd generation packing quality1-1.476-1.302-1.149
Ramachandran plot appearance1-0.8250.1440.092
Chi-1/Chi-2 rotamer normality1-1.581-1.743-1.477
Backbone conformation10.0650.0340.029
Bond length RMS Z-score20.3160.6620.653
Bond angle RMS Z-score20.6430.8370.829
Total number of bumps3763435
Unsatisfied H-bond donors/acceptors3302128
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 residues314
Significantly deteriorated residues1
Changes of all residuesPlot

Download

Links