Optimised PDB entry 4ims



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 51.845 Åb: 110.418 Åc: 164.106 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.15 Å

Experimental data
ReflectionsAll: 52052Test set: 2594 (5.0%)
Resolution range49.44 Å2.15 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18300.18150.17960.1812
R-free0.23500.23210.21640.2174
σR-free 0.00460.00420.0043
Z(R-free) -0.172.983.16

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.880-0.772-0.726
2nd generation packing quality1-1.363-1.154-1.148
Ramachandran plot appearance1-0.930-0.075-0.048
Chi-1/Chi-2 rotamer normality1-3.640-1.999-1.417
Backbone conformation1-1.685-1.491-1.449
Bond length RMS Z-score20.7000.5090.508
Bond angle RMS Z-score20.7570.7260.722
Total number of bumps3734446
Unsatisfied H-bond donors/acceptors3636065
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 residues20
Significantly deteriorated residues3
Changes of all residuesPlot

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