PDB entry 4i56



Structure
SpacegroupI 41 3 2
Cell dimensionsa: 226.082 Åb: 226.082 Åc: 226.082 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 150412Test set: 10779 (7.2%)
Resolution range28.71 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16800.16820.12460.1294
R-free0.18900.18970.15420.1595
σR-free 0.00180.00150.0015
R-free Z-score 23.7212.0012.87

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3190.4030.423
2nd generation packing quality1-0.588-0.543-0.383
Ramachandran plot appearance10.5030.9680.943
Chi-1/Chi-2 rotamer normality1-0.579-0.056-0.020
Backbone conformation10.1820.1680.143
Bond length RMS Z-score20.9360.6230.661
Bond angle RMS Z-score20.8910.8230.815
Total number of bumps3503430
Unsatisfied H-bond donors/acceptors3242525
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 residues370377
Significantly deteriorated residues15
Changes of all residuesPlot Plot

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