PDB entry 4iwv



Structure
SpacegroupP 41
Cell dimensionsa: 77.938 Åb: 77.938 Åc: 85.350 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 28302Test set: 1450 (5.1%)
Resolution range33.74 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19900.19750.21020.2086
R-free0.25000.24410.24100.2473
σR-free 0.00450.00450.0046
R-free Z-score 1.275.533.61

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.1200.1110.124
2nd generation packing quality1-1.319-1.074-0.954
Ramachandran plot appearance1-1.445-0.102-0.284
Chi-1/Chi-2 rotamer normality1-2.623-1.546-0.919
Backbone conformation1-0.605-0.345-0.205
Bond length RMS Z-score20.7880.3160.318
Bond angle RMS Z-score20.9300.5770.573
Total number of bumps3562831
Unsatisfied H-bond donors/acceptors3222127
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 residues759
Significantly deteriorated residues47108
Changes of all residuesPlot Plot

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