Optimised PDB entry 4imw



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 51.685 Åb: 111.393 Åc: 164.177 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 52112Test set: 2596 (5.0%)
Resolution range43.74 Å2.15 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21300.22860.19460.2011
R-free0.27300.28300.22960.2330
σR-free 0.00560.00450.0046
Z(R-free) 1.383.964.93

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.224-0.857-0.849
2nd generation packing quality1-1.586-1.215-1.262
Ramachandran plot appearance1-1.830-0.0430.099
Chi-1/Chi-2 rotamer normality1-3.037-1.914-1.294
Backbone conformation1-1.222-0.947-0.775
Bond length RMS Z-score20.6840.5610.466
Bond angle RMS Z-score20.7770.7810.712
Total number of bumps31478361
Unsatisfied H-bond donors/acceptors37210063
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 residues119
Significantly deteriorated residues6
Changes of all residuesPlot

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