Optimised PDB entry 4imx



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 58.057 Åb: 106.604 Åc: 156.464 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.25 Å

Experimental data
ReflectionsAll: 46527Test set: 2320 (5.0%)
Resolution range39.26 Å2.25 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17600.18700.16860.1674
R-free0.22200.22630.19470.1964
σR-free 0.00470.00400.0041
Z(R-free) 3.455.975.05

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.780-0.738-0.694
2nd generation packing quality1-1.198-1.073-0.994
Ramachandran plot appearance1-1.731-0.517-0.457
Chi-1/Chi-2 rotamer normality1-2.979-1.805-1.050
Backbone conformation1-1.344-1.314-1.388
Bond length RMS Z-score20.6290.4960.490
Bond angle RMS Z-score20.7210.7270.711
Total number of bumps3703029
Unsatisfied H-bond donors/acceptors3575759
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 residues68
Significantly deteriorated residues2
Changes of all residuesPlot

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