PDB entry 4iiq



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 82.045 Åb: 87.410 Åc: 156.372 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.86 Å

Experimental data
ReflectionsAll: 26556Test set: 1336 (5.0%)
Resolution range44.77 Å2.86 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21300.22850.22850.2407
R-free0.27100.27770.27770.3026
σR-free 0.0054NA0.0059
R-free Z-score -2.04NA-3.68

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.701-0.699-0.685
2nd generation packing quality1-1.811-1.809-1.330
Ramachandran plot appearance1-1.193-1.193-2.042
Chi-1/Chi-2 rotamer normality1-1.878-1.874-3.766
Backbone conformation10.5140.514-0.052
Bond length RMS Z-score20.1980.1980.583
Bond angle RMS Z-score20.4420.4420.776
Total number of bumps38894121
Unsatisfied H-bond donors/acceptors3828281
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 residues3229
Significantly deteriorated residues13
Changes of all residuesPlot Plot

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