PDB entry 4idx



Structure
SpacegroupI 4 2 2
Cell dimensionsa: 159.200 Åb: 159.200 Åc: 157.800 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.21 Å

Experimental data
ReflectionsAll: 16903Test set: 853 (5.0%)
Resolution range49.94 Å3.21 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.32100.32340.32940.3238
R-free0.37400.37200.37170.3934
σR-free 0.00900.00900.0095
R-free Z-score 1.602.43-0.68

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-3.087-2.538-2.589
2nd generation packing quality1-3.650-3.237-3.109
Ramachandran plot appearance1-5.223-4.589-4.636
Chi-1/Chi-2 rotamer normality1-5.649-5.334-5.521
Backbone conformation1-2.928-2.568-2.752
Bond length RMS Z-score20.4940.4330.481
Bond angle RMS Z-score20.6970.7490.819
Total number of bumps319094145
Unsatisfied H-bond donors/acceptors31139387
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 residues171
Significantly deteriorated residues268
Changes of all residuesPlot Plot

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