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
R0.17600.18730.16680.1666
R-free0.22200.22690.19440.1970
σR-free 0.00470.00400.0041
Z(R-free) 3.405.484.63

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.2900.2980.338
2nd generation packing quality1-1.054-1.000-0.887
Ramachandran plot appearance1-1.458-0.937-0.961
Chi-1/Chi-2 rotamer normality1-1.858-1.110-0.475
Backbone conformation12.5792.7502.680
Bond length RMS Z-score20.6290.5730.567
Bond angle RMS Z-score20.7210.7790.761
Total number of bumps3924642
Unsatisfied H-bond donors/acceptors305143
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 residues95
Significantly deteriorated residues2
Changes of all residuesPlot

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