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 conservative optimisationAfter full optimisation
R0.17600.18410.16760.1705
R-free0.22200.22200.19730.2017
σR-free 0.00330.00290.0030
R-free Z-score 5.066.906.47

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.770-0.687-0.666
2nd generation packing quality1-1.059-1.019-0.913
Ramachandran plot appearance1-1.095-0.194-0.180
Chi-1/Chi-2 rotamer normality1-2.004-1.178-0.574
Backbone conformation1-0.472-0.220-0.291
Bond length RMS Z-score20.6290.5250.532
Bond angle RMS Z-score20.7210.7190.718
Total number of bumps3926766
Unsatisfied H-bond donors/acceptors3504646
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 residues5931
Significantly deteriorated residues03
Changes of all residuesPlot Plot

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