PDB entry 4c5x



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 25.300 Åb: 40.270 Åc: 64.880 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.30 Å

Experimental data
ReflectionsAll: 19783Test set: 1013 (5.1%)
Resolution range34.22 Å1.21 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.14210.15410.15450.1745
R-free0.17340.16030.17930.2038
σR-free 0.00500.00560.0064
Z(R-free) 7.063.002.77

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1NANANA
2nd generation packing quality1NANANA
Ramachandran plot appearance1NANANA
Chi-1/Chi-2 rotamer normality1NANANA
Backbone conformation1NANANA
Bond length RMS Z-score21.9581.0830.976
Bond angle RMS Z-score22.0381.2381.165
Total number of bumps3161815
Unsatisfied H-bond donors/acceptors3000
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues5
Significantly deteriorated residues9
Changes of all residuesPlot

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