PDB entry 4ixc



Structure
SpacegroupP 41
Cell dimensionsa: 77.628 Åb: 77.628 Åc: 85.824 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 31483Test set: 1613 (5.1%)
Resolution range22.16 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18600.18610.18680.1912
R-free0.24900.24760.23940.2407
σR-free 0.00440.00420.0042
R-free Z-score -3.55-1.57-0.57

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.1670.3160.361
2nd generation packing quality1-1.039-0.977-0.958
Ramachandran plot appearance1-0.822-0.176-0.231
Chi-1/Chi-2 rotamer normality1-2.276-1.668-1.467
Backbone conformation1-0.348-0.169-0.200
Bond length RMS Z-score20.8350.5020.560
Bond angle RMS Z-score20.9340.7030.716
Total number of bumps3563930
Unsatisfied H-bond donors/acceptors3192223
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 residues10
Significantly deteriorated residues1160
Changes of all residuesPlot Plot

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