PDB entry 4imt



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 51.658 Åb: 110.723 Åc: 163.713 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 48413Test set: 2434 (5.0%)
Resolution range40.64 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19900.19950.20750.2154
R-free0.24800.25060.24100.2488
σR-free 0.00360.00350.0036
R-free Z-score 1.927.668.11

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.934-0.772-0.691
2nd generation packing quality1-1.349-1.226-1.226
Ramachandran plot appearance1-1.401-0.411-0.111
Chi-1/Chi-2 rotamer normality1-2.701-1.639-1.120
Backbone conformation1-0.887-0.844-0.787
Bond length RMS Z-score20.7310.3920.334
Bond angle RMS Z-score20.7840.6230.583
Total number of bumps31368279
Unsatisfied H-bond donors/acceptors3605758
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 residues14
Significantly deteriorated residues7468
Changes of all residuesPlot Plot

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