PDB entry 4kw0



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 25.780 Åb: 39.893 Åc: 65.690 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.49 Å

Experimental data
ReflectionsAll: 10484Test set: 511 (4.9%)
Resolution range14.75 Å1.49 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20300.20130.20130.3113
R-free0.24400.24170.24170.3268
σR-free 0.0107NA0.0145
R-free Z-score -1.07NA2.03

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-score20.8370.8370.462
Bond angle RMS Z-score21.5091.5091.014
Total number of bumps3151514
Unsatisfied H-bond donors/acceptors3000
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 residues01
Significantly deteriorated residues3042
Changes of all residuesPlot Plot

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