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 conservative optimisationAfter full optimisation
R0.18300.18240.19000.1980
R-free0.23500.23270.22260.2339
σR-free 0.00320.00310.0032
R-free Z-score -0.066.325.78

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.872-0.739-0.788
2nd generation packing quality1-1.310-1.168-1.062
Ramachandran plot appearance1-0.3640.3910.332
Chi-1/Chi-2 rotamer normality1-2.423-1.186-0.922
Backbone conformation1-0.713-0.700-0.889
Bond length RMS Z-score20.7000.4020.415
Bond angle RMS Z-score20.7570.6350.642
Total number of bumps3968561
Unsatisfied H-bond donors/acceptors3484862
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues211
Significantly deteriorated residues2729
Changes of all residuesPlot Plot

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