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
R0.17600.18750.16570.1683
R-free0.22200.22710.19420.1969
σR-free 0.00470.00400.0041
Z(R-free) 3.405.175.20

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.770-0.701-0.666
2nd generation packing quality1-1.059-0.970-0.842
Ramachandran plot appearance1-1.095-0.112-0.060
Chi-1/Chi-2 rotamer normality1-2.004-1.162-0.348
Backbone conformation1-0.472-0.244-0.273
Bond length RMS Z-score20.6290.5630.564
Bond angle RMS Z-score20.7210.7760.756
Total number of bumps3924945
Unsatisfied H-bond donors/acceptors3504645
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 residues87
Significantly deteriorated residues0
Changes of all residuesPlot

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